[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine

C8H12ClN3 — CID 81004995

IUPAC[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine
SMILESNCC1CCC1n1cc(Cl)cn1
InChIInChI=1S/C8H12ClN3/c9-7-4-11-12(5-7)8-2-1-6(8)3-10/h4-6,8H,1-3,10H2
InChIKeyDINBIMQPZJLSHV-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.45
Rot. Bonds2

About [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine

[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine (PubChem CID 81004995) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine
PubChem CID81004995
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine
SMILESNCC1CCC1n1cc(Cl)cn1
InChIInChI=1S/C8H12ClN3/c9-7-4-11-12(5-7)8-2-1-6(8)3-10/h4-6,8H,1-3,10H2
InChIKeyDINBIMQPZJLSHV-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine 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-(4-chloropyrazol-1-yl)cyclobutyl]methanamine?
The IUPAC name of [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine (CID 81004995) is [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine is NCC1CCC1n1cc(Cl)cn1.
What is the InChIKey of [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine?
The InChIKey is DINBIMQPZJLSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c9-7-4-11-12(5-7)8-2-1-6(8)3-10/h4-6,8H,1-3,10H2.
What are the key properties of [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine?
[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine has a molecular weight of 185.66 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 81004995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).