1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine

C16H14ClN3 — CID 814441

IUPAC1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11,18H2
InChIKeyFRRXTDGETSNRAZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.83
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine

1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine (PubChem CID 814441) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine
PubChem CID814441
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11,18H2
InChIKeyFRRXTDGETSNRAZ-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-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-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine (CID 814441) is 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine?
The InChIKey is FRRXTDGETSNRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11,18H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine?
1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine has a molecular weight of 283.76 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-amine is sourced from PubChem (CID 814441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).