3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine

C7H12ClN3 — CID 55267157

IUPAC3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1cc(Cl)c(CCCN)n1
InChIInChI=1S/C7H12ClN3/c1-11-5-6(8)7(10-11)3-2-4-9/h5H,2-4,9H2,1H3
InChIKeyAVLLJPQAWOJGCS-UHFFFAOYSA-N
MW173.65 g/mol
LogP0.96
Rot. Bonds3

About 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine

3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 55267157) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine
PubChem CID55267157
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1cc(Cl)c(CCCN)n1
InChIInChI=1S/C7H12ClN3/c1-11-5-6(8)7(10-11)3-2-4-9/h5H,2-4,9H2,1H3
InChIKeyAVLLJPQAWOJGCS-UHFFFAOYSA-N
XLogP0.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chloro-1-methylpyrazol-3-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 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine (CID 55267157) is 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine is Cn1cc(Cl)c(CCCN)n1.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is AVLLJPQAWOJGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-11-5-6(8)7(10-11)3-2-4-9/h5H,2-4,9H2,1H3.
What are the key properties of 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine?
3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 173.65 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 55267157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).