[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone

C15H16FN3O3 — CID 111969897

IUPAC[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1nn(-c2ccc(F)cc2)cc1O)N1CCCC(O)C1
InChIInChI=1S/C15H16FN3O3/c16-10-3-5-11(6-4-10)19-9-13(21)14(17-19)15(22)18-7-1-2-12(20)8-18/h3-6,9,12,20-21H,1-2,7-8H2
InChIKeyBQQWHYJNEFKLDE-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.31
Rot. Bonds2

About [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone

[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111969897) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111969897
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1nn(-c2ccc(F)cc2)cc1O)N1CCCC(O)C1
InChIInChI=1S/C15H16FN3O3/c16-10-3-5-11(6-4-10)19-9-13(21)14(17-19)15(22)18-7-1-2-12(20)8-18/h3-6,9,12,20-21H,1-2,7-8H2
InChIKeyBQQWHYJNEFKLDE-UHFFFAOYSA-N
XLogP1.31
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111912334
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
[3-(1-aminoethyl)piperidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119596854
(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
CID 119380664
1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide
CID 110013646
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492285
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97321169
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
CID 119595810
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
CID 128988278
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576249

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 111969897) is [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1nn(-c2ccc(F)cc2)cc1O)N1CCCC(O)C1.
What is the InChIKey of [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is BQQWHYJNEFKLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-10-3-5-11(6-4-10)19-9-13(21)14(17-19)15(22)18-7-1-2-12(20)8-18/h3-6,9,12,20-21H,1-2,7-8H2.
What are the key properties of [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone?
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 305.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111969897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).