[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

C23H23F3N4O3S — CID 26870232

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cc2)n1
InChIInChI=1S/C23H23F3N4O3S/c1-16-14-17(2)30(27-16)20-8-6-18(7-9-20)22(31)28-10-12-29(13-11-28)34(32,33)21-5-3-4-19(15-21)23(24,25)26/h3-9,14-15H,10-13H2,1-2H3
InChIKeyDTRQBXDNKPPYQI-UHFFFAOYSA-N
MW492.52 g/mol
LogP3.65
Rot. Bonds4

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 26870232) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID26870232
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cc2)n1
InChIInChI=1S/C23H23F3N4O3S/c1-16-14-17(2)30(27-16)20-8-6-18(7-9-20)22(31)28-10-12-29(13-11-28)34(32,33)21-5-3-4-19(15-21)23(24,25)26/h3-9,14-15H,10-13H2,1-2H3
InChIKeyDTRQBXDNKPPYQI-UHFFFAOYSA-N
XLogP3.65
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(3-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925108
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 26204876
(4-methyl-3-pyrrol-1-ylphenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 16594122
(3-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone
CID 30808114
1,3-benzodioxol-5-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26870263
naphthalen-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26204474
acetic acid;3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162335740
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30796899
[4-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 154851904
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405977
thiophen-2-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 2441230
(2,3-dichlorophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26870266

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (CID 26870232) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is DTRQBXDNKPPYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-16-14-17(2)30(27-16)20-8-6-18(7-9-20)22(31)28-10-12-29(13-11-28)34(32,33)21-5-3-4-19(15-21)23(24,25)26/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 492.52 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 26870232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).