1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine

C16H13ClFN3 — CID 83203236

IUPAC1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2N)cc1F
InChIInChI=1S/C16H13ClFN3/c1-10-2-3-11(8-14(10)18)16-15(19)9-21(20-16)13-6-4-12(17)5-7-13/h2-9H,19H2,1H3
InChIKeyAZECJJBUCLRCKI-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.22
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine

1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine (PubChem CID 83203236) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
PubChem CID83203236
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2N)cc1F
InChIInChI=1S/C16H13ClFN3/c1-10-2-3-11(8-14(10)18)16-15(19)9-21(20-16)13-6-4-12(17)5-7-13/h2-9H,19H2,1H3
InChIKeyAZECJJBUCLRCKI-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-(3-fluoro-4-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-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine (CID 83203236) is 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine is Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2N)cc1F.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
The InChIKey is AZECJJBUCLRCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-10-2-3-11(8-14(10)18)16-15(19)9-21(20-16)13-6-4-12(17)5-7-13/h2-9H,19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83203236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).