[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C15H16FN3O3 — CID 111912334

IUPAC[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)N2CC[C@@H](O)C2)n1
InChIInChI=1S/C15H16FN3O3/c1-9-6-10(16)2-3-12(9)19-8-13(21)14(17-19)15(22)18-5-4-11(20)7-18/h2-3,6,8,11,20-21H,4-5,7H2,1H3/t11-/m1/s1
InChIKeyLIARUARWNOWCOZ-LLVKDONJSA-N
MW305.31 g/mol
LogP1.23
Rot. Bonds2

About [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111912334) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111912334
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)N2CC[C@@H](O)C2)n1
InChIInChI=1S/C15H16FN3O3/c1-9-6-10(16)2-3-12(9)19-8-13(21)14(17-19)15(22)18-5-4-11(20)7-18/h2-3,6,8,11,20-21H,4-5,7H2,1H3/t11-/m1/s1
InChIKeyLIARUARWNOWCOZ-LLVKDONJSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
CID 119380664
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492285
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone;hydrochloride
CID 119595810
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545926
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111969897
[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone
CID 166342227
2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
CID 166244486
N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119498479
N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 71975746
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
CID 111911950
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119463429
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111912334) is [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CC[C@@H](O)C2)n1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is LIARUARWNOWCOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9-6-10(16)2-3-12(9)19-8-13(21)14(17-19)15(22)18-5-4-11(20)7-18/h2-3,6,8,11,20-21H,4-5,7H2,1H3/t11-/m1/s1.
What are the key properties of [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 305.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111912334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).