2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile

C14H13N3 — CID 121450894

IUPAC2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile
SMILESN#CCc1ccn(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C14H13N3/c15-9-7-13-8-10-17(16-13)14-5-3-12(4-6-14)11-1-2-11/h3-6,8,10-11H,1-2,7H2
InChIKeyZCUMPILZVVXXNX-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile

2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile (PubChem CID 121450894) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile
PubChem CID121450894
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile
SMILESN#CCc1ccn(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C14H13N3/c15-9-7-13-8-10-17(16-13)14-5-3-12(4-6-14)11-1-2-11/h3-6,8,10-11H,1-2,7H2
InChIKeyZCUMPILZVVXXNX-UHFFFAOYSA-N
XLogP2.82
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile 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 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile?
The IUPAC name of 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile (CID 121450894) is 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile is N#CCc1ccn(-c2ccc(C3CC3)cc2)n1.
What is the InChIKey of 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile?
The InChIKey is ZCUMPILZVVXXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-9-7-13-8-10-17(16-13)14-5-3-12(4-6-14)11-1-2-11/h3-6,8,10-11H,1-2,7H2.
What are the key properties of 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile?
2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclopropylphenyl)pyrazol-3-yl]acetonitrile is sourced from PubChem (CID 121450894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).