1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine

C15H10ClF2N3 — CID 83205335

IUPAC1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2)nc1-c1c(F)cccc1F
InChIInChI=1S/C15H10ClF2N3/c16-9-4-6-10(7-5-9)21-8-13(19)15(20-21)14-11(17)2-1-3-12(14)18/h1-8H,19H2
InChIKeyKUOXYXUTQSWTIM-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.05
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine

1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine (PubChem CID 83205335) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
PubChem CID83205335
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2)nc1-c1c(F)cccc1F
InChIInChI=1S/C15H10ClF2N3/c16-9-4-6-10(7-5-9)21-8-13(19)15(20-21)14-11(17)2-1-3-12(14)18/h1-8H,19H2
InChIKeyKUOXYXUTQSWTIM-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)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-(2,6-difluorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine (CID 83205335) is 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(Cl)cc2)nc1-c1c(F)cccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine?
The InChIKey is KUOXYXUTQSWTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c16-9-4-6-10(7-5-9)21-8-13(19)15(20-21)14-11(17)2-1-3-12(14)18/h1-8H,19H2.
What are the key properties of 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine?
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine has a molecular weight of 305.72 g/mol, XLogP of 4.05, 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-(2,6-difluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83205335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).