1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine

C17H16ClN3 — CID 83205233

IUPAC1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
SMILESCc1cccc(-c2nn(-c3ccc(C)c(Cl)c3)cc2N)c1
InChIInChI=1S/C17H16ClN3/c1-11-4-3-5-13(8-11)17-16(19)10-21(20-17)14-7-6-12(2)15(18)9-14/h3-10H,19H2,1-2H3
InChIKeyFLVNXQFOQCMJEB-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.39
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine

1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine (PubChem CID 83205233) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
PubChem CID83205233
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
SMILESCc1cccc(-c2nn(-c3ccc(C)c(Cl)c3)cc2N)c1
InChIInChI=1S/C17H16ClN3/c1-11-4-3-5-13(8-11)17-16(19)10-21(20-17)14-7-6-12(2)15(18)9-14/h3-10H,19H2,1-2H3
InChIKeyFLVNXQFOQCMJEB-UHFFFAOYSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)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-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine (CID 83205233) is 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine is Cc1cccc(-c2nn(-c3ccc(C)c(Cl)c3)cc2N)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine?
The InChIKey is FLVNXQFOQCMJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11-4-3-5-13(8-11)17-16(19)10-21(20-17)14-7-6-12(2)15(18)9-14/h3-10H,19H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine?
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83205233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).