5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole

C15H8ClF3N2 — CID 66015724

IUPAC5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(F)c(-n2nc(-c3ccccc3)cc2Cl)cc1F
InChIInChI=1S/C15H8ClF3N2/c16-15-8-13(9-4-2-1-3-5-9)20-21(15)14-7-11(18)10(17)6-12(14)19/h1-8H
InChIKeyHEAKOHSKUINITH-UHFFFAOYSA-N
MW308.69 g/mol
LogP4.61
Rot. Bonds2

About 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole

5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole (PubChem CID 66015724) has the molecular formula C15H8ClF3N2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole
PubChem CID66015724
Molecular FormulaC15H8ClF3N2
Molecular Weight308.69 g/mol
Exact Mass308.03
IUPAC Name5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(F)c(-n2nc(-c3ccccc3)cc2Cl)cc1F
InChIInChI=1S/C15H8ClF3N2/c16-15-8-13(9-4-2-1-3-5-9)20-21(15)14-7-11(18)10(17)6-12(14)19/h1-8H
InChIKeyHEAKOHSKUINITH-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)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 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole?
The IUPAC name of 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole (CID 66015724) is 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole.
What is the SMILES notation for 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole?
The canonical SMILES for 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole is Fc1cc(F)c(-n2nc(-c3ccccc3)cc2Cl)cc1F.
What is the InChIKey of 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole?
The InChIKey is HEAKOHSKUINITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2/c16-15-8-13(9-4-2-1-3-5-9)20-21(15)14-7-11(18)10(17)6-12(14)19/h1-8H.
What are the key properties of 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole?
5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole has a molecular weight of 308.69 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole is sourced from PubChem (CID 66015724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).