5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine

C15H12ClN5 — CID 4069133

IUPAC5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2)c1/N=N/c1ccccc1
InChIInChI=1S/C15H12ClN5/c16-11-8-6-10(7-9-11)13-14(15(17)21-19-13)20-18-12-4-2-1-3-5-12/h1-9H,(H3,17,19,21)/b20-18+
InChIKeyFBHLCBKEZKPNMD-CZIZESTLSA-N
MW297.75 g/mol
LogP4.73
Rot. Bonds3

About 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine

5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine (PubChem CID 4069133) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine
PubChem CID4069133
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2)c1/N=N/c1ccccc1
InChIInChI=1S/C15H12ClN5/c16-11-8-6-10(7-9-11)13-14(15(17)21-19-13)20-18-12-4-2-1-3-5-12/h1-9H,(H3,17,19,21)/b20-18+
InChIKeyFBHLCBKEZKPNMD-CZIZESTLSA-N
XLogP4.73
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-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 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine (CID 4069133) is 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Cl)cc2)c1/N=N/c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine?
The InChIKey is FBHLCBKEZKPNMD-CZIZESTLSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-11-8-6-10(7-9-11)13-14(15(17)21-19-13)20-18-12-4-2-1-3-5-12/h1-9H,(H3,17,19,21)/b20-18+.
What are the key properties of 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine has a molecular weight of 297.75 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 4069133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).