2-(1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)acetonitrile

HCID 70817554

Basic information

CAS
1402445-92-4
Standard SMILES
N#CCc1cnn(C2CC2)c1C(F)(F)F
InChIKey
PSTWQTNMDVACFM-UHFFFAOYSA-N
Molecular formula
C9H8F3N3
Average molar mass
215.17 g/mol
Monoisotopic mass
215.06703175

Names & identifiers

Preferred name
2-(1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)acetonitrile
IUPAC
2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetonitrile

Names & synonyms

1402445-92-42-(1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)acetonitrile(1-Cyclopropyl-5-trifluoromethyl-1H-pyrazol-4-yl)-acetonitrileSCHEMBL12985165DTXSID6011870891-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazole-4-acetonitrile[1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetonitrile

Database identifiers

CAS
1402445-92-4
PubChem CID
70817554
DTXSID
DTXSID601187089

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
41.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15

Related reactions

4 records

Compound notes

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