[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol

C23H16ClF3N2O — CID 141219570

IUPAC[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol
SMILESOC(c1ccccc1-c1ccccc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C23H16ClF3N2O/c24-18-12-6-7-13-19(18)29-20(14-21(28-29)23(25,26)27)22(30)17-11-5-4-10-16(17)15-8-2-1-3-9-15/h1-14,22,30H
InChIKeyUPZZDFJZIKUKMY-UHFFFAOYSA-N
MW428.84 g/mol
LogP6.29
Rot. Bonds4

About [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol

[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol (PubChem CID 141219570) has the molecular formula C23H16ClF3N2O and a molecular weight of 428.84 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol
PubChem CID141219570
Molecular FormulaC23H16ClF3N2O
Molecular Weight428.84 g/mol
Exact Mass428.09
IUPAC Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol
SMILESOC(c1ccccc1-c1ccccc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C23H16ClF3N2O/c24-18-12-6-7-13-19(18)29-20(14-21(28-29)23(25,26)27)22(30)17-11-5-4-10-16(17)15-8-2-1-3-9-15/h1-14,22,30H
InChIKeyUPZZDFJZIKUKMY-UHFFFAOYSA-N
XLogP6.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.84
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol?
The IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol (CID 141219570) is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol?
The canonical SMILES for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol is OC(c1ccccc1-c1ccccc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol?
The InChIKey is UPZZDFJZIKUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O/c24-18-12-6-7-13-19(18)29-20(14-21(28-29)23(25,26)27)22(30)17-11-5-4-10-16(17)15-8-2-1-3-9-15/h1-14,22,30H.
What are the key properties of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol?
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol has a molecular weight of 428.84 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(2-phenylphenyl)methanol is sourced from PubChem (CID 141219570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).