2-(5-amino-1H-pyrazol-4-yl)benzonitrile

C10H8N4 — CID 117279793

IUPAC2-(5-amino-1H-pyrazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cn[nH]c1N
InChIInChI=1S/C10H8N4/c11-5-7-3-1-2-4-8(7)9-6-13-14-10(9)12/h1-4,6H,(H3,12,13,14)
InChIKeyNGOUMCQAUYPLSP-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.53
Rot. Bonds1

About 2-(5-amino-1H-pyrazol-4-yl)benzonitrile

2-(5-amino-1H-pyrazol-4-yl)benzonitrile (PubChem CID 117279793) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)benzonitrile
PubChem CID117279793
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cn[nH]c1N
InChIInChI=1S/C10H8N4/c11-5-7-3-1-2-4-8(7)9-6-13-14-10(9)12/h1-4,6H,(H3,12,13,14)
InChIKeyNGOUMCQAUYPLSP-UHFFFAOYSA-N
XLogP1.53
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-amino-1H-pyrazol-4-yl)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 2-(5-amino-1H-pyrazol-4-yl)benzonitrile?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)benzonitrile (CID 117279793) is 2-(5-amino-1H-pyrazol-4-yl)benzonitrile.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)benzonitrile?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)benzonitrile is N#Cc1ccccc1-c1cn[nH]c1N.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)benzonitrile?
The InChIKey is NGOUMCQAUYPLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-5-7-3-1-2-4-8(7)9-6-13-14-10(9)12/h1-4,6H,(H3,12,13,14).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)benzonitrile?
2-(5-amino-1H-pyrazol-4-yl)benzonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)benzonitrile is sourced from PubChem (CID 117279793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).