3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid

1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone
3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid
3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
3-Methyl-1-(3-sulfophenyl)-5-pyrazolone
3-Methyl-1-(3′-sulfophenyl)-5-pyrazolone
3-Methyl-1-(m-sulfophenyl)-2-pyrazolin-5-one
Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Benzenesulfonic acid, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
m-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VEMGKBUHUTYHHA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)
IUPAC name chemrof:IUPAC_name	3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid
Molecular formula chemrof:molecular_formula	C10H10N2O4S
Molecular mass chemrof:molecular_mass	254.267
Monoisotopic mass chemrof:monoisotopic_mass	254.036128
SMILES string chemrof:smiles_string	CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=119-17-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.912	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0044785	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15354	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=50668	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188309	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J183.789C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/67060	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27264073	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f3c903ca-4c96-4169-b332-7bb6c47dc4d3	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
a15d17f1-870d-48f1-bbfe-f76025e0b505	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
4a274da7-1f50-4489-9015-84ae41f4906a	Environmental → Air → Indoor	EF 3.1	kg	2
81d9bea1-55a0-450a-a47e-2ffc19f8822d	Environmental → Air → Long-term	EF 3.1	kg	0
edd16526-fdb0-4533-b9af-f8e06ac083fb	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
618e63df-d30c-4eec-ad61-060f64a23ca1	Environmental → Air → Unknown	EF 3.1	kg	2
59898091-2bda-4186-97da-1f8c9a31eec8	Environmental → Ground → Agricultural	EF 3.1	kg	2
4dfd85b2-9693-4b4e-a43e-bdf6be10874e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
00bbb273-2bfe-434c-9552-a1f57c39e315	Environmental → Ground → Unknown	EF 3.1	kg	2
b2a1d7e6-aab1-4ec7-afd1-ec9f2b121ec3	Environmental → Water → Long-term	EF 3.1	kg	0
e95e3204-10b0-43f1-80bc-525de12096d2	Environmental → Water → Ocean	EF 3.1	kg	2
852d37cd-8f4b-40fd-9f99-516b8c55ff84	Environmental → Water → Surface water	EF 3.1	kg	2
c960a507-a95c-40ec-b1f0-60ba619d106c	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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        "https://commonchemistry.cas.org/detail?cas_rn=119-17-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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