1-(6-chloro-2-pyridinyl)pyrazol-4-amine

C8H7ClN4 — CID 84773266

IUPAC1-(6-chloro-2-pyridinyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccc(Cl)n2)c1
InChIInChI=1S/C8H7ClN4/c9-7-2-1-3-8(12-7)13-5-6(10)4-11-13/h1-5H,10H2
InChIKeyVZVAOGNBKNBGJR-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.50
Rot. Bonds1

About 1-(6-chloro-2-pyridinyl)pyrazol-4-amine

1-(6-chloro-2-pyridinyl)pyrazol-4-amine (PubChem CID 84773266) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)pyrazol-4-amine
PubChem CID84773266
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name1-(6-chloro-2-pyridinyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccc(Cl)n2)c1
InChIInChI=1S/C8H7ClN4/c9-7-2-1-3-8(12-7)13-5-6(10)4-11-13/h1-5H,10H2
InChIKeyVZVAOGNBKNBGJR-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-chloro-2-pyridinyl)pyrazol-4-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 1-(6-chloro-2-pyridinyl)pyrazol-4-amine?
The IUPAC name of 1-(6-chloro-2-pyridinyl)pyrazol-4-amine (CID 84773266) is 1-(6-chloro-2-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)pyrazol-4-amine is Nc1cnn(-c2cccc(Cl)n2)c1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)pyrazol-4-amine?
The InChIKey is VZVAOGNBKNBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-2-1-3-8(12-7)13-5-6(10)4-11-13/h1-5H,10H2.
What are the key properties of 1-(6-chloro-2-pyridinyl)pyrazol-4-amine?
1-(6-chloro-2-pyridinyl)pyrazol-4-amine has a molecular weight of 194.63 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 84773266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).