1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one

C15H15FN4O3 — CID 166240036

IUPAC1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one
SMILESCC1C(=O)N(C)CN1C(=O)c1nn(-c2cccc(F)c2)cc1O
InChIInChI=1S/C15H15FN4O3/c1-9-14(22)18(2)8-19(9)15(23)13-12(21)7-20(17-13)11-5-3-4-10(16)6-11/h3-7,9,21H,8H2,1-2H3
InChIKeyACDOOQJOWSMYST-UHFFFAOYSA-N
MW318.31 g/mol
LogP0.98
Rot. Bonds2

About 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one

1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one (PubChem CID 166240036) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one
PubChem CID166240036
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one
SMILESCC1C(=O)N(C)CN1C(=O)c1nn(-c2cccc(F)c2)cc1O
InChIInChI=1S/C15H15FN4O3/c1-9-14(22)18(2)8-19(9)15(23)13-12(21)7-20(17-13)11-5-3-4-10(16)6-11/h3-7,9,21H,8H2,1-2H3
InChIKeyACDOOQJOWSMYST-UHFFFAOYSA-N
XLogP0.98
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-4-hydroxy-N-[(3R)-1-methyl-2-oxoazepan-3-yl]pyrazole-3-carboxamide
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[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 99778992
1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid
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4-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
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[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
4-(2-chlorobenzoyl)-1-(3-fluorophenyl)-3-methylpiperazin-2-one
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ethyl 4-bromo-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 162639246
(4aR,7aS)-1-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 120684145
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
CID 128988278
7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75393960
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one?
The IUPAC name of 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one (CID 166240036) is 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one?
The canonical SMILES for 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one is CC1C(=O)N(C)CN1C(=O)c1nn(-c2cccc(F)c2)cc1O.
What is the InChIKey of 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one?
The InChIKey is ACDOOQJOWSMYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-9-14(22)18(2)8-19(9)15(23)13-12(21)7-20(17-13)11-5-3-4-10(16)6-11/h3-7,9,21H,8H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one?
1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one has a molecular weight of 318.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-4-hydroxypyrazole-3-carbonyl]-3,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 166240036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).