[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone

C15H16FN3O2 — CID 99778992

IUPAC[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@@H](O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C15H16FN3O2/c1-10-7-13(20)9-18(10)15(21)14-5-6-19(17-14)12-4-2-3-11(16)8-12/h2-6,8,10,13,20H,7,9H2,1H3/t10-,13-/m1/s1
InChIKeyDFFZAELOEFCIIA-ZWNOBZJWSA-N
MW289.31 g/mol
LogP1.61
Rot. Bonds2

About [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone

[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone (PubChem CID 99778992) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
PubChem CID99778992
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@@H](O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C15H16FN3O2/c1-10-7-13(20)9-18(10)15(21)14-5-6-19(17-14)12-4-2-3-11(16)8-12/h2-6,8,10,13,20H,7,9H2,1H3/t10-,13-/m1/s1
InChIKeyDFFZAELOEFCIIA-ZWNOBZJWSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 75395512
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107209960
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
6-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113523
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 124692654
[1-(3-fluorophenyl)pyrazol-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95583484
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346124

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone (CID 99778992) is [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone is C[C@@H]1C[C@@H](O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is DFFZAELOEFCIIA-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-7-13(20)9-18(10)15(21)14-5-6-19(17-14)12-4-2-3-11(16)8-12/h2-6,8,10,13,20H,7,9H2,1H3/t10-,13-/m1/s1.
What are the key properties of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 289.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 99778992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).