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

C11H8ClF3N2O2 — CID 2307045

IUPAC(4-chlorophenyl)-[(3S)-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-/m0/s1
InChIKeyUUDOWXPGTNQCTG-JTQLQIEISA-N
MW292.64 g/mol
LogP2.07
Rot. Bonds1

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

(4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone (PubChem CID 2307045) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
PubChem CID2307045
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name(4-chlorophenyl)-[(3S)-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-/m0/s1
InChIKeyUUDOWXPGTNQCTG-JTQLQIEISA-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-chlorophenyl)-[3-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 5017218
(4-chlorophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 713907
[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
CID 2916640
4-chloro(13C)benzoic acid
CID 66995527
(4-chlorophenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2881876
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 26779191
4-(4-chlorobenzoyl)-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 44563306
(4-chlorophenyl)-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanone
CID 2878044
4-chlorobenzoic acid;fluoromethane
CID 174932068
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 7302769
(3-chlorophenyl)-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 5129504
(4-chlorophenyl)-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]methanone
CID 3793306

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone (CID 2307045) is (4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-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)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
The InChIKey is UUDOWXPGTNQCTG-JTQLQIEISA-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-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone?
(4-chlorophenyl)-[(3S)-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)-[(3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone is sourced from PubChem (CID 2307045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).