(4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

C17H10ClF3N2O — CID 2740125

IUPAC(4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1cc(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C17H10ClF3N2O/c18-13-8-6-12(7-9-13)16(24)23-10-14(11-4-2-1-3-5-11)15(22-23)17(19,20)21/h1-10H
InChIKeyCOJPHFXVOFBMOM-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.91
Rot. Bonds2

About (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

(4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 2740125) has the molecular formula C17H10ClF3N2O and a molecular weight of 350.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID2740125
Molecular FormulaC17H10ClF3N2O
Molecular Weight350.73 g/mol
Exact Mass350.04
IUPAC Name(4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1cc(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C17H10ClF3N2O/c18-13-8-6-12(7-9-13)16(24)23-10-14(11-4-2-1-3-5-11)15(22-23)17(19,20)21/h1-10H
InChIKeyCOJPHFXVOFBMOM-UHFFFAOYSA-N
XLogP4.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (CID 2740125) is (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)n1cc(-c2ccccc2)c(C(F)(F)F)n1.
What is the InChIKey of (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is COJPHFXVOFBMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O/c18-13-8-6-12(7-9-13)16(24)23-10-14(11-4-2-1-3-5-11)15(22-23)17(19,20)21/h1-10H.
What are the key properties of (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
(4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 350.73 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2740125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).