3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile

C16H12N4 — CID 122185332

IUPAC3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile
SMILESCc1cc(C#N)cc(-c2ccnc(-n3cccn3)c2)c1
InChIInChI=1S/C16H12N4/c1-12-7-13(11-17)9-15(8-12)14-3-5-18-16(10-14)20-6-2-4-19-20/h2-10H,1H3
InChIKeyUNXZNHBCTMVLPT-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.11
Rot. Bonds2

About 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile

3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile (PubChem CID 122185332) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile
PubChem CID122185332
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile
SMILESCc1cc(C#N)cc(-c2ccnc(-n3cccn3)c2)c1
InChIInChI=1S/C16H12N4/c1-12-7-13(11-17)9-15(8-12)14-3-5-18-16(10-14)20-6-2-4-19-20/h2-10H,1H3
InChIKeyUNXZNHBCTMVLPT-UHFFFAOYSA-N
XLogP3.11
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile 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 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile?
The IUPAC name of 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile (CID 122185332) is 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile?
The canonical SMILES for 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile is Cc1cc(C#N)cc(-c2ccnc(-n3cccn3)c2)c1.
What is the InChIKey of 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile?
The InChIKey is UNXZNHBCTMVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-12-7-13(11-17)9-15(8-12)14-3-5-18-16(10-14)20-6-2-4-19-20/h2-10H,1H3.
What are the key properties of 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile?
3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-pyrazol-1-yl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 122185332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).