[1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine

C10H16ClN3 — CID 84783283

IUPAC[1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine
SMILESCC(C)n1ncc(C2(CN)CC2)c1Cl
InChIInChI=1S/C10H16ClN3/c1-7(2)14-9(11)8(5-13-14)10(6-12)3-4-10/h5,7H,3-4,6,12H2,1-2H3
InChIKeyGNOCDMOXZFEOSE-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.11
Rot. Bonds3

About [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine

[1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine (PubChem CID 84783283) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine
PubChem CID84783283
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name[1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine
SMILESCC(C)n1ncc(C2(CN)CC2)c1Cl
InChIInChI=1S/C10H16ClN3/c1-7(2)14-9(11)8(5-13-14)10(6-12)3-4-10/h5,7H,3-4,6,12H2,1-2H3
InChIKeyGNOCDMOXZFEOSE-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]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 [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine (CID 84783283) is [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine is CC(C)n1ncc(C2(CN)CC2)c1Cl.
What is the InChIKey of [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine?
The InChIKey is GNOCDMOXZFEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-7(2)14-9(11)8(5-13-14)10(6-12)3-4-10/h5,7H,3-4,6,12H2,1-2H3.
What are the key properties of [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine?
[1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine has a molecular weight of 213.71 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 84783283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).