Consensus flow list

N-[9-(dichloromethylidene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide

fo-1d9591942799709b

Identity

Type
Neutral molecule
CAS
1072957-71-1
EC
691-719-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-[9-(dichloromethylidene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CCCGEKHKTPTUHJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)
IUPAC name chemrof:IUPAC_name N-[9-(dichloromethylidene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
Molecular formula chemrof:molecular_formula C18H15Cl2F2N3O
Molecular mass chemrof:molecular_mass 398.24
Monoisotopic mass chemrof:monoisotopic_mass 397.056024
SMILES string chemrof:smiles_string Cn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(Cl)Cl)c(C(F)F)n1

Known URLs

6

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=1072957-71-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83097 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8057930 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.203.228A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53491464 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27156634 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
620883cd-d035-4af4-ac72-2e416a63b368 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b2346ecf-fc11-485c-96f8-f22778f2c8bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
044d15e4-22fb-484a-beeb-f5e4bf1f9666 Environmental → Air → Indoor EF 3.1 kg 4
c8362080-d86e-462d-b8e1-464b0671a50e Environmental → Air → Long-term EF 3.1 kg 0
9386dcfe-e0ea-4b42-94c2-96c2c1206624 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
78594d87-c8c0-41e9-9f85-15137bcb977b Environmental → Air → Unknown EF 3.1 kg 4
b8177aef-079f-4799-bcb1-1db0f1ab364b Environmental → Ground → Agricultural EF 3.1 kg 4
3a840568-ffdf-4f6b-8e8a-afdc3d9ab6ef Environmental → Ground → Non-agricultural EF 3.1 kg 4
c0536f063c3a26e053e03aa2a4acd6956f7940aa Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
d9a2c363-663b-4b28-b8a9-90ec8c5fd7f7 Environmental → Ground → Unknown EF 3.1 kg 4
8c0f4c57-30e1-4412-8566-de3b5aa71ada Environmental → Water → Long-term EF 3.1 kg 0
b583e48a-a44b-482d-8cd4-2925c8a12252 Environmental → Water → Ocean EF 3.1 kg 4
6845871e-250c-4d4b-ad6e-12659296e9a8 Environmental → Water → Surface water EF 3.1 kg 4
b806df75e94fa39d81253e4d48313c9739525547 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4e5c5e43-06fa-43b2-b21d-b53a1a852977 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "N-[9-(dichloromethylidene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide",
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  ],
  "altLabel": [
    {
      "@value": "1H-Pyrazole-4-carboxamide, N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-",
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