1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole

C16H9Cl2F3N2 — CID 10021211

IUPAC1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H9Cl2F3N2/c17-11-3-1-10(2-4-11)14-9-15(16(19,20)21)22-23(14)13-7-5-12(18)6-8-13/h1-9H
InChIKeyJINJJDHGBJMQJW-UHFFFAOYSA-N
MW357.16 g/mol
LogP5.86
Rot. Bonds2

About 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole

1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 10021211) has the molecular formula C16H9Cl2F3N2 and a molecular weight of 357.16 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID10021211
Molecular FormulaC16H9Cl2F3N2
Molecular Weight357.16 g/mol
Exact Mass356.01
IUPAC Name1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H9Cl2F3N2/c17-11-3-1-10(2-4-11)14-9-15(16(19,20)21)22-23(14)13-7-5-12(18)6-8-13/h1-9H
InChIKeyJINJJDHGBJMQJW-UHFFFAOYSA-N
XLogP5.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.16
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole 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 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole (CID 10021211) is 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is JINJJDHGBJMQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2/c17-11-3-1-10(2-4-11)14-9-15(16(19,20)21)22-23(14)13-7-5-12(18)6-8-13/h1-9H.
What are the key properties of 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole?
1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 357.16 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10021211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).