2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine

C12H14ClN3 — CID 83896851

IUPAC2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine
SMILESCC(CN)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9(6-14)10-7-15-16(8-10)12-5-3-2-4-11(12)13/h2-5,7-9H,6,14H2,1H3
InChIKeyKSENXFGRXISMRR-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine

2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine (PubChem CID 83896851) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine
PubChem CID83896851
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine
SMILESCC(CN)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9(6-14)10-7-15-16(8-10)12-5-3-2-4-11(12)13/h2-5,7-9H,6,14H2,1H3
InChIKeyKSENXFGRXISMRR-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine 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-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine (CID 83896851) is 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine is CC(CN)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is KSENXFGRXISMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9(6-14)10-7-15-16(8-10)12-5-3-2-4-11(12)13/h2-5,7-9H,6,14H2,1H3.
What are the key properties of 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine?
2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 235.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 83896851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).