[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C23H19ClF4N4O2 — CID 55785360

IUPAC[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H19ClF4N4O2/c1-14-19(20(24)32(29-14)18-7-5-17(25)6-8-18)22(34)31-11-9-30(10-12-31)21(33)15-3-2-4-16(13-15)23(26,27)28/h2-8,13H,9-12H2,1H3
InChIKeyAXCHNPQTNZPLJR-UHFFFAOYSA-N
MW494.88 g/mol
LogP4.59
Rot. Bonds3

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

[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 55785360) has the molecular formula C23H19ClF4N4O2 and a molecular weight of 494.88 g/mol. Its IUPAC name is [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID55785360
Molecular FormulaC23H19ClF4N4O2
Molecular Weight494.88 g/mol
Exact Mass494.11
IUPAC Name[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H19ClF4N4O2/c1-14-19(20(24)32(29-14)18-7-5-17(25)6-8-18)22(34)31-11-9-30(10-12-31)21(33)15-3-2-4-16(13-15)23(26,27)28/h2-8,13H,9-12H2,1H3
InChIKeyAXCHNPQTNZPLJR-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

[4-(benzenesulfonyl)piperazin-1-yl]-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methanone
CID 27509662
(4-benzylsulfonylpiperazin-1-yl)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methanone
CID 27757260
[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660722
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 43036837
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
5-chloro-N'-[3-(dimethylamino)benzoyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
CID 27606125
3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 154852591
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 55785360) is [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is AXCHNPQTNZPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF4N4O2/c1-14-19(20(24)32(29-14)18-7-5-17(25)6-8-18)22(34)31-11-9-30(10-12-31)21(33)15-3-2-4-16(13-15)23(26,27)28/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]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-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 55785360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).