1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone

C12H14N2O2 — CID 3714362

IUPAC1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(C)O
InChIInChI=1S/C12H14N2O2/c1-9(15)14-12(2,16)8-11(13-14)10-6-4-3-5-7-10/h3-7,16H,8H2,1-2H3
InChIKeyRHAVCWPCEVCHEA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.35
Rot. Bonds1

About 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone

1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone (PubChem CID 3714362) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone
PubChem CID3714362
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(C)O
InChIInChI=1S/C12H14N2O2/c1-9(15)14-12(2,16)8-11(13-14)10-6-4-3-5-7-10/h3-7,16H,8H2,1-2H3
InChIKeyRHAVCWPCEVCHEA-UHFFFAOYSA-N
XLogP1.35
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 51426988
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
CID 102387868
1-[5-methyl-5-(2-methylprop-2-enyl)-3-phenyl-4H-pyrazol-1-yl]ethanone
CID 164900016
1-[5-benzyl-5-methyl-3-(4-methylphenyl)-4H-pyrazol-1-yl]ethanone
CID 164900009
[(5R)-5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone
CID 823665
(4-tert-butylphenyl)-(5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl)methanone
CID 5160146
1-[(5R)-3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 1354969
(4-tert-butylphenyl)-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7290096
tert-butyl 2-[(5R)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate
CID 40634681
tert-butyl (5S)-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-4H-pyrazole-1-carboxylate
CID 126339975
(4-hydroxyphenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 46741871
ethyl 2-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate
CID 3147075

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone (CID 3714362) is 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone is CC(=O)N1N=C(c2ccccc2)CC1(C)O.
What is the InChIKey of 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone?
The InChIKey is RHAVCWPCEVCHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)14-12(2,16)8-11(13-14)10-6-4-3-5-7-10/h3-7,16H,8H2,1-2H3.
What are the key properties of 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone?
1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone has a molecular weight of 218.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone is sourced from PubChem (CID 3714362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).