1-phenylpyrazol-3-amine;hydrochloride

C9H10ClN3 — CID 2860831

IUPAC1-phenylpyrazol-3-amine;hydrochloride
SMILESCl.Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3.ClH/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;/h1-7H,(H2,10,11);1H
InChIKeyKYPFDNIHBWUVAL-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.88
Rot. Bonds1

About 1-phenylpyrazol-3-amine;hydrochloride

1-phenylpyrazol-3-amine;hydrochloride (PubChem CID 2860831) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-phenylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-phenylpyrazol-3-amine;hydrochloride
PubChem CID2860831
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name1-phenylpyrazol-3-amine;hydrochloride
SMILESCl.Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3.ClH/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;/h1-7H,(H2,10,11);1H
InChIKeyKYPFDNIHBWUVAL-UHFFFAOYSA-N
XLogP1.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenylpyrazol-3-amine;hydrochloride 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-phenylpyrazol-3-amine;hydrochloride?
The IUPAC name of 1-phenylpyrazol-3-amine;hydrochloride (CID 2860831) is 1-phenylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-phenylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-phenylpyrazol-3-amine;hydrochloride is Cl.Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenylpyrazol-3-amine;hydrochloride?
The InChIKey is KYPFDNIHBWUVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.ClH/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;/h1-7H,(H2,10,11);1H.
What are the key properties of 1-phenylpyrazol-3-amine;hydrochloride?
1-phenylpyrazol-3-amine;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 2860831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).