[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C22H20F4N4O — CID 10252224

IUPAC[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20F4N4O/c1-15-14-20(30(27-15)17-8-6-16(23)7-9-17)21(31)29-12-10-28(11-13-29)19-5-3-2-4-18(19)22(24,25)26/h2-9,14H,10-13H2,1H3
InChIKeyIIICUHFFPYKFHZ-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.30
Rot. Bonds3

About [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 10252224) has the molecular formula C22H20F4N4O and a molecular weight of 432.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID10252224
Molecular FormulaC22H20F4N4O
Molecular Weight432.42 g/mol
Exact Mass432.16
IUPAC Name[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20F4N4O/c1-15-14-20(30(27-15)17-8-6-16(23)7-9-17)21(31)29-12-10-28(11-13-29)19-5-3-2-4-18(19)22(24,25)26/h2-9,14H,10-13H2,1H3
InChIKeyIIICUHFFPYKFHZ-UHFFFAOYSA-N
XLogP4.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]methanone
CID 91168556
(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone
CID 10250156
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]methanone;[4-[4-[1-[5-methyl-2-(3-methylphenyl)pyrazole-3-carbonyl]-4-[2-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]phenyl]piperazin-1-yl]-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]methanone
CID 87966048
[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10411191
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3341823
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 90972119
[1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42762222
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 10047852
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10069792

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 10252224) is [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is IIICUHFFPYKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O/c1-15-14-20(30(27-15)17-8-6-16(23)7-9-17)21(31)29-12-10-28(11-13-29)19-5-3-2-4-18(19)22(24,25)26/h2-9,14H,10-13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 432.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 10252224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).