[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C24H28N4O4S — CID 55575053

IUPAC[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C24H28N4O4S/c1-4-23-22(17-25-28(23)19-7-5-18(2)6-8-19)24(29)26-13-15-27(16-14-26)33(30,31)21-11-9-20(32-3)10-12-21/h5-12,17H,4,13-16H2,1-3H3
InChIKeyAYCVXGJNMMVVGZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.90
Rot. Bonds6

About [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55575053) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID55575053
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C24H28N4O4S/c1-4-23-22(17-25-28(23)19-7-5-18(2)6-8-19)24(29)26-13-15-27(16-14-26)33(30,31)21-11-9-20(32-3)10-12-21/h5-12,17H,4,13-16H2,1-3H3
InChIKeyAYCVXGJNMMVVGZ-UHFFFAOYSA-N
XLogP2.90
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918046
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 37273958
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 46589100
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrazole-5-carboxylic acid
CID 19496382
ethyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenoxy]acetate
CID 3153448
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 8924595
2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 1429409
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24629532
5-ethyl-1-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 55581735

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 55575053) is [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cnn1-c1ccc(C)cc1.
What is the InChIKey of [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AYCVXGJNMMVVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-4-23-22(17-25-28(23)19-7-5-18(2)6-8-19)24(29)26-13-15-27(16-14-26)33(30,31)21-11-9-20(32-3)10-12-21/h5-12,17H,4,13-16H2,1-3H3.
What are the key properties of [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 468.58 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55575053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).