(3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol

C16H13F3N2O2 — CID 136677513

IUPAC(3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOc1ccccc1C1=NN(c2ccccc2)[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)15(23)10-13(12-8-4-5-9-14(12)22)20-21(15)11-6-2-1-3-7-11/h1-9,22-23H,10H2/t15-/m0/s1
InChIKeyUYKFPRIDDUAPJS-HNNXBMFYSA-N
MW322.29 g/mol
LogP3.26
Rot. Bonds2

About (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol

(3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 136677513) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name(3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID136677513
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name(3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOc1ccccc1C1=NN(c2ccccc2)[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)15(23)10-13(12-8-4-5-9-14(12)22)20-21(15)11-6-2-1-3-7-11/h1-9,22-23H,10H2/t15-/m0/s1
InChIKeyUYKFPRIDDUAPJS-HNNXBMFYSA-N
XLogP3.26
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'het_5_C(2)', 'substructure': 'N/A'}

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Related Compounds

(3R)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 136677514
(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(2-hydroxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 136716125
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-naphthalen-1-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4873394
(5S)-5-hydroxy-3-naphthalen-1-yl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide
CID 51663176
(2-hydroxyphenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanethione
CID 2876890
4-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]benzenesulfonamide
CID 122189266
5-phenyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 11236321
2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 3713594
(5R)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide
CID 51663168
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
(4-hydroxyphenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 46741871
(3R)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-naphthalen-1-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40792983

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 136677513) is (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is Oc1ccccc1C1=NN(c2ccccc2)[C@@](O)(C(F)(F)F)C1.
What is the InChIKey of (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is UYKFPRIDDUAPJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)15(23)10-13(12-8-4-5-9-14(12)22)20-21(15)11-6-2-1-3-7-11/h1-9,22-23H,10H2/t15-/m0/s1.
What are the key properties of (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
(3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 322.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 136677513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).