[4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone

C23H19ClF4N4O2 — CID 55879028

IUPAC[4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)CC2)cc1F
InChIInChI=1S/C23H19ClF4N4O2/c1-14-2-3-15(12-19(14)25)21(33)30-8-10-31(11-9-30)22(34)18-13-29-32(20(18)23(26,27)28)17-6-4-16(24)5-7-17/h2-7,12-13H,8-11H2,1H3
InChIKeyXIEZESWBXPIUHO-UHFFFAOYSA-N
MW494.88 g/mol
LogP4.59
Rot. Bonds3

About [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone

[4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 55879028) has the molecular formula C23H19ClF4N4O2 and a molecular weight of 494.88 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID55879028
Molecular FormulaC23H19ClF4N4O2
Molecular Weight494.88 g/mol
Exact Mass494.11
IUPAC Name[4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)CC2)cc1F
InChIInChI=1S/C23H19ClF4N4O2/c1-14-2-3-15(12-19(14)25)21(33)30-8-10-31(11-9-30)22(34)18-13-29-32(20(18)23(26,27)28)17-6-4-16(24)5-7-17/h2-7,12-13H,8-11H2,1H3
InChIKeyXIEZESWBXPIUHO-UHFFFAOYSA-N
XLogP4.59
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 21105026
[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 112837424
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 46536673
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37281544
[4-[3-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 166225701
(4-methyl-1,4-diazepan-1-yl)-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 78828139
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 55879926
ethyl 1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 71684785
[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828140
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920
1-[4-(thiomorpholine-4-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 119180207
(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 55879030

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone (CID 55879028) is [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)CC2)cc1F.
What is the InChIKey of [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is XIEZESWBXPIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF4N4O2/c1-14-2-3-15(12-19(14)25)21(33)30-8-10-31(11-9-30)22(34)18-13-29-32(20(18)23(26,27)28)17-6-4-16(24)5-7-17/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
[4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 494.88 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 55879028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).