1-(2-fluorophenyl)pyrazole-3-carbonitrile

C10H6FN3 — CID 116818280

IUPAC1-(2-fluorophenyl)pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2ccccc2F)n1
InChIInChI=1S/C10H6FN3/c11-9-3-1-2-4-10(9)14-6-5-8(7-12)13-14/h1-6H
InChIKeyISTWOHDSYOELSW-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.88
Rot. Bonds1

About 1-(2-fluorophenyl)pyrazole-3-carbonitrile

1-(2-fluorophenyl)pyrazole-3-carbonitrile (PubChem CID 116818280) has the molecular formula C10H6FN3 and a molecular weight of 187.18 g/mol. Its IUPAC name is 1-(2-fluorophenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorophenyl)pyrazole-3-carbonitrile
PubChem CID116818280
Molecular FormulaC10H6FN3
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name1-(2-fluorophenyl)pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2ccccc2F)n1
InChIInChI=1S/C10H6FN3/c11-9-3-1-2-4-10(9)14-6-5-8(7-12)13-14/h1-6H
InChIKeyISTWOHDSYOELSW-UHFFFAOYSA-N
XLogP1.88
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(2-fluorophenyl)pyrazole-3-carbonitrile (CID 116818280) is 1-(2-fluorophenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(2-fluorophenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(2-fluorophenyl)pyrazole-3-carbonitrile is N#Cc1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)pyrazole-3-carbonitrile?
The InChIKey is ISTWOHDSYOELSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3/c11-9-3-1-2-4-10(9)14-6-5-8(7-12)13-14/h1-6H.
What are the key properties of 1-(2-fluorophenyl)pyrazole-3-carbonitrile?
1-(2-fluorophenyl)pyrazole-3-carbonitrile has a molecular weight of 187.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 116818280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).