1-phenylpyrazole-4-carbonitrile

C10H7N3 — CID 10909970

IUPAC1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChIKeyQXUOMWCBAUSGQT-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.74
Rot. Bonds1

About 1-phenylpyrazole-4-carbonitrile

1-phenylpyrazole-4-carbonitrile (PubChem CID 10909970) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-phenylpyrazole-4-carbonitrile
PubChem CID10909970
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChIKeyQXUOMWCBAUSGQT-UHFFFAOYSA-N
XLogP1.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1-phenylpyrazole-4-carbonitrile (CID 10909970) is 1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1-phenylpyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenylpyrazole-4-carbonitrile?
The InChIKey is QXUOMWCBAUSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H.
What are the key properties of 1-phenylpyrazole-4-carbonitrile?
1-phenylpyrazole-4-carbonitrile has a molecular weight of 169.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 10909970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).