[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone

C14H15FN4O — CID 124574217

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
SMILESN[C@H]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C1
InChIInChI=1S/C14H15FN4O/c15-11-3-1-2-4-13(11)19-8-6-12(17-19)14(20)18-7-5-10(16)9-18/h1-4,6,8,10H,5,7,9,16H2/t10-/m0/s1
InChIKeyHABNUFGQZGZHKX-JTQLQIEISA-N
MW274.30 g/mol
LogP1.18
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 124574217) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID124574217
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
SMILESN[C@H]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C1
InChIInChI=1S/C14H15FN4O/c15-11-3-1-2-4-13(11)19-8-6-12(17-19)14(20)18-7-5-10(16)9-18/h1-4,6,8,10H,5,7,9,16H2/t10-/m0/s1
InChIKeyHABNUFGQZGZHKX-JTQLQIEISA-N
XLogP1.18
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 91653040
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43475528
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118645
2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 129415546
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 126795965
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 119411732
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone (CID 124574217) is [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone is N[C@H]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is HABNUFGQZGZHKX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-3-1-2-4-13(11)19-8-6-12(17-19)14(20)18-7-5-10(16)9-18/h1-4,6,8,10H,5,7,9,16H2/t10-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 274.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 124574217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).