1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone

C22H20F2N4O2 — CID 55649494

IUPAC1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccn(-c4ccccc4F)n3)CC2)c(F)c1
InChIInChI=1S/C22H20F2N4O2/c1-15(29)16-6-7-20(18(24)14-16)26-10-12-27(13-11-26)22(30)19-8-9-28(25-19)21-5-3-2-4-17(21)23/h2-9,14H,10-13H2,1H3
InChIKeyZKEOWQGEJGIACC-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.32
Rot. Bonds4

About 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 55649494) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID55649494
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccn(-c4ccccc4F)n3)CC2)c(F)c1
InChIInChI=1S/C22H20F2N4O2/c1-15(29)16-6-7-20(18(24)14-16)26-10-12-27(13-11-26)22(30)19-8-9-28(25-19)21-5-3-2-4-17(21)23/h2-9,14H,10-13H2,1H3
InChIKeyZKEOWQGEJGIACC-UHFFFAOYSA-N
XLogP3.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 47850211
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 87028582
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118645
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 91653040
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
1-[4-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 26959582
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
1-[4-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18120080

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 55649494) is 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccn(-c4ccccc4F)n3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is ZKEOWQGEJGIACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-15(29)16-6-7-20(18(24)14-16)26-10-12-27(13-11-26)22(30)19-8-9-28(25-19)21-5-3-2-4-17(21)23/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 410.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 55649494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).