[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone

C20H19F3N2O2 — CID 576904

IUPAC[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
SMILESCCc1ccc(C2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-3-14-6-10-16(11-7-14)19(27)12-17(20(21,22)23)24-25(19)18(26)15-8-4-13(2)5-9-15/h4-11,27H,3,12H2,1-2H3
InChIKeyOBKAKUBKEMGJSH-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.17
Rot. Bonds3

About [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone

[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone (PubChem CID 576904) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
PubChem CID576904
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
SMILESCCc1ccc(C2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-3-14-6-10-16(11-7-14)19(27)12-17(20(21,22)23)24-25(19)18(26)15-8-4-13(2)5-9-15/h4-11,27H,3,12H2,1-2H3
InChIKeyOBKAKUBKEMGJSH-UHFFFAOYSA-N
XLogP4.17
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 3098837
[5-hydroxy-5-(2-hydroxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 2857746
(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2845040
[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 2859494
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 3107186
[5-(4-fluorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 3113607
5-(4-chlorophenyl)-1-(2-fluorobenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3113628
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
CID 2857573
1-(4-bromobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2884136
1-(4-bromobenzoyl)-3-ethyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3107190
(3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
CID 3115676
1-(2-bromobenzoyl)-5-(4-bromophenyl)-3-ethyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3115677

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone (CID 576904) is [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone is CCc1ccc(C2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
The InChIKey is OBKAKUBKEMGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-3-14-6-10-16(11-7-14)19(27)12-17(20(21,22)23)24-25(19)18(26)15-8-4-13(2)5-9-15/h4-11,27H,3,12H2,1-2H3.
What are the key properties of [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone?
[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone has a molecular weight of 376.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 576904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).