[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C27H22F4N4O — CID 3341823

IUPAC[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nn1-c1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H22F4N4O/c28-21-9-11-22(12-10-21)35-25(18-24(32-35)19-5-2-1-3-6-19)26(36)34-15-13-33(14-16-34)23-8-4-7-20(17-23)27(29,30)31/h1-12,17-18H,13-16H2
InChIKeyRVONGMPSYFUMNC-UHFFFAOYSA-N
MW494.49 g/mol
LogP5.66
Rot. Bonds4

About [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 3341823) has the molecular formula C27H22F4N4O and a molecular weight of 494.49 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID3341823
Molecular FormulaC27H22F4N4O
Molecular Weight494.49 g/mol
Exact Mass494.17
IUPAC Name[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nn1-c1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H22F4N4O/c28-21-9-11-22(12-10-21)35-25(18-24(32-35)19-5-2-1-3-6-19)26(36)34-15-13-33(14-16-34)23-8-4-7-20(17-23)27(29,30)31/h1-12,17-18H,13-16H2
InChIKeyRVONGMPSYFUMNC-UHFFFAOYSA-N
XLogP5.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4240570
[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3632123
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3434426
[1-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3579029
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3557816
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 50745756
2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 24631736
1-[4-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 5003812
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10252224
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 3341823) is [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nn1-c1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is RVONGMPSYFUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N4O/c28-21-9-11-22(12-10-21)35-25(18-24(32-35)19-5-2-1-3-6-19)26(36)34-15-13-33(14-16-34)23-8-4-7-20(17-23)27(29,30)31/h1-12,17-18H,13-16H2.
What are the key properties of [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 494.49 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3341823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).