[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine

C8H8ClN5 — CID 84780964

IUPAC[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2nccc(Cl)n2)c1
InChIInChI=1S/C8H8ClN5/c9-7-1-2-11-8(13-7)14-5-6(3-10)4-12-14/h1-2,4-5H,3,10H2
InChIKeyWZMQQCJNFZCTLY-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.77
Rot. Bonds2

About [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine

[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine (PubChem CID 84780964) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine
PubChem CID84780964
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2nccc(Cl)n2)c1
InChIInChI=1S/C8H8ClN5/c9-7-1-2-11-8(13-7)14-5-6(3-10)4-12-14/h1-2,4-5H,3,10H2
InChIKeyWZMQQCJNFZCTLY-UHFFFAOYSA-N
XLogP0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]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-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine (CID 84780964) is [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine is NCc1cnn(-c2nccc(Cl)n2)c1.
What is the InChIKey of [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine?
The InChIKey is WZMQQCJNFZCTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-7-1-2-11-8(13-7)14-5-6(3-10)4-12-14/h1-2,4-5H,3,10H2.
What are the key properties of [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine?
[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine has a molecular weight of 209.64 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 84780964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).