1-benzylpyrazole-4-carbonitrile

C11H9N3 — CID 14361420

IUPAC1-benzylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C11H9N3/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,8H2
InChIKeyGCGFLGKRYHSMKU-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.80
Rot. Bonds2

About 1-benzylpyrazole-4-carbonitrile

1-benzylpyrazole-4-carbonitrile (PubChem CID 14361420) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-benzylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-benzylpyrazole-4-carbonitrile
PubChem CID14361420
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name1-benzylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C11H9N3/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,8H2
InChIKeyGCGFLGKRYHSMKU-UHFFFAOYSA-N
XLogP1.80
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
5-amino-1-benzyl-1H-pyrazole-4-carbonitrile
CID 660147
1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
4-(1H-pyrazol-1-ylmethyl)benzonitrile
CID 8834695
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
CID 5200398
1H-Pyrazole-4-carbonitrile, 1,3-diphenyl-
CID 700979
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrazole-4-carbonitrile?
The IUPAC name of 1-benzylpyrazole-4-carbonitrile (CID 14361420) is 1-benzylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-benzylpyrazole-4-carbonitrile?
The canonical SMILES for 1-benzylpyrazole-4-carbonitrile is N#Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzylpyrazole-4-carbonitrile?
The InChIKey is GCGFLGKRYHSMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,8H2.
What are the key properties of 1-benzylpyrazole-4-carbonitrile?
1-benzylpyrazole-4-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrazole-4-carbonitrile is sourced from PubChem (CID 14361420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).