(2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C17H12ClF3N2O2 — CID 2869353

IUPAC(2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O2/c18-13-9-5-4-8-12(13)15(24)23-16(25,17(19,20)21)10-14(22-23)11-6-2-1-3-7-11/h1-9,25H,10H2
InChIKeyYAEFKCKYWJCKNT-UHFFFAOYSA-N
MW368.74 g/mol
LogP3.84
Rot. Bonds2

About (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

(2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 2869353) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID2869353
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name(2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O2/c18-13-9-5-4-8-12(13)15(24)23-16(25,17(19,20)21)10-14(22-23)11-6-2-1-3-7-11/h1-9,25H,10H2
InChIKeyYAEFKCKYWJCKNT-UHFFFAOYSA-N
XLogP3.84
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 2869353) is (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is O=C(c1ccccc1Cl)N1N=C(c2ccccc2)CC1(O)C(F)(F)F.
What is the InChIKey of (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is YAEFKCKYWJCKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-13-9-5-4-8-12(13)15(24)23-16(25,17(19,20)21)10-14(22-23)11-6-2-1-3-7-11/h1-9,25H,10H2.
What are the key properties of (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 368.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 2869353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).