[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone

C14H15FN4O — CID 119400311

IUPAC[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccn(-c2ccccc2F)n1)N1CCNCC1
InChIInChI=1S/C14H15FN4O/c15-11-3-1-2-4-13(11)19-8-5-12(17-19)14(20)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2
InChIKeyPMXLNDUAGIAWIT-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.06
Rot. Bonds2

About [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone

[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone (PubChem CID 119400311) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
PubChem CID119400311
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccn(-c2ccccc2F)n1)N1CCNCC1
InChIInChI=1S/C14H15FN4O/c15-11-3-1-2-4-13(11)19-8-5-12(17-19)14(20)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2
InChIKeyPMXLNDUAGIAWIT-UHFFFAOYSA-N
XLogP1.06
TPSA50.16 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400312
[1-(2-fluorophenyl)pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823695
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 91653040
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 87028582
1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55809909
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118645
1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55649494
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 129415546

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone (CID 119400311) is [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone is O=C(c1ccn(-c2ccccc2F)n1)N1CCNCC1.
What is the InChIKey of [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The InChIKey is PMXLNDUAGIAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-3-1-2-4-13(11)19-8-5-12(17-19)14(20)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2.
What are the key properties of [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone has a molecular weight of 274.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119400311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).