3-(4-chloropyrazol-1-yl)propan-1-amine

C6H10ClN3 — CID 19619542

IUPAC3-(4-chloropyrazol-1-yl)propan-1-amine
SMILESNCCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2
InChIKeyKDYCSGUDPHYMFA-UHFFFAOYSA-N
MW159.62 g/mol
LogP0.89
Rot. Bonds3

About 3-(4-chloropyrazol-1-yl)propan-1-amine

3-(4-chloropyrazol-1-yl)propan-1-amine (PubChem CID 19619542) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)propan-1-amine
PubChem CID19619542
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name3-(4-chloropyrazol-1-yl)propan-1-amine
SMILESNCCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2
InChIKeyKDYCSGUDPHYMFA-UHFFFAOYSA-N
XLogP0.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chloropyrazol-1-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-chloropyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4-chloropyrazol-1-yl)propan-1-amine (CID 19619542) is 3-(4-chloropyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)propan-1-amine is NCCCn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)propan-1-amine?
The InChIKey is KDYCSGUDPHYMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2.
What are the key properties of 3-(4-chloropyrazol-1-yl)propan-1-amine?
3-(4-chloropyrazol-1-yl)propan-1-amine has a molecular weight of 159.62 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 19619542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).