[(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone

C18H17FN2O2 — CID 823665

IUPAC[(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone
SMILESCC[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-2-18(23)12-16(13-8-4-3-5-9-13)20-21(18)17(22)14-10-6-7-11-15(14)19/h3-11,23H,2,12H2,1H3/t18-/m1/s1
InChIKeyQSHUTYRTXWXJLG-GOSISDBHSA-N
MW312.34 g/mol
LogP3.17
Rot. Bonds3

About [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone

[(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone (PubChem CID 823665) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone
PubChem CID823665
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name[(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone
SMILESCC[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-2-18(23)12-16(13-8-4-3-5-9-13)20-21(18)17(22)14-10-6-7-11-15(14)19/h3-11,23H,2,12H2,1H3/t18-/m1/s1
InChIKeyQSHUTYRTXWXJLG-GOSISDBHSA-N
XLogP3.17
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-(5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl)methanone
CID 5160146
(2-fluorophenyl)-[(5S)-5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 26779168
methyl (5S)-1-(2-fluorobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate
CID 691750
1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone
CID 3714362
[(5R)-3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 30051519
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
CID 102387868
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3723843
ethyl 2-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate
CID 3147075
(2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 71185163
(4-tert-butylphenyl)-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7290096
(2-hydroxyphenyl)-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 6615387

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone (CID 823665) is [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone is CC[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1F.
What is the InChIKey of [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is QSHUTYRTXWXJLG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-2-18(23)12-16(13-8-4-3-5-9-13)20-21(18)17(22)14-10-6-7-11-15(14)19/h3-11,23H,2,12H2,1H3/t18-/m1/s1.
What are the key properties of [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone?
[(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 312.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 823665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).