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

C11H8ClF3N2O2 — CID 2307046

IUPAC(4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1NC=C[C@@]1(O)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2/c12-8-3-1-7(2-4-8)9(18)17-10(19,5-6-16-17)11(13,14)15/h1-6,16,19H/t10-/m1/s1
InChIKeyUUDOWXPGTNQCTG-SNVBAGLBSA-N
MW292.64 g/mol
LogP2.07
Rot. Bonds1

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

(4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone (PubChem CID 2307046) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
PubChem CID2307046
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name(4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1NC=C[C@@]1(O)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2/c12-8-3-1-7(2-4-8)9(18)17-10(19,5-6-16-17)11(13,14)15/h1-6,16,19H/t10-/m1/s1
InChIKeyUUDOWXPGTNQCTG-SNVBAGLBSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3147001
4-chloro-N-(4,4,4-trifluoro-2-methylbutan-2-yl)benzohydrazide
CID 140354300
4-chloro-2-fluoro-N-(2-oxo-1-pyridinyl)benzamide
CID 172761667
[(3S)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726857
[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726858
(4-chlorophenyl)-[(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897403
(4-chlorophenyl)-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897404
[(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900357
[(3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900358
4-chloro-N'-[(5R)-5-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
CID 1912362
(3-chlorophenyl)-[(3S)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914583
(3-chlorophenyl)-[(3R)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914584

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone (CID 2307046) is (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone is O=C(c1ccc(Cl)cc1)N1NC=C[C@@]1(O)C(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The InChIKey is UUDOWXPGTNQCTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c12-8-3-1-7(2-4-8)9(18)17-10(19,5-6-16-17)11(13,14)15/h1-6,16,19H/t10-/m1/s1.
What are the key properties of (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
(4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone has a molecular weight of 292.64 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3R)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone is sourced from PubChem (CID 2307046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).