(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C23H26N4O4S — CID 4808733

IUPAC(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1
InChIInChI=1S/C23H26N4O4S/c1-17-22(18(2)27(24-17)19-7-5-4-6-8-19)23(28)25-13-15-26(16-14-25)32(29,30)21-11-9-20(31-3)10-12-21/h4-12H,13-16H2,1-3H3
InChIKeyVXFSZWXGIQDUPV-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.64
Rot. Bonds5

About (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 4808733) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID4808733
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1
InChIInChI=1S/C23H26N4O4S/c1-17-22(18(2)27(24-17)19-7-5-4-6-8-19)23(28)25-13-15-26(16-14-25)32(29,30)21-11-9-20(31-3)10-12-21/h4-12H,13-16H2,1-3H3
InChIKeyVXFSZWXGIQDUPV-UHFFFAOYSA-N
XLogP2.64
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648156
4-[5-(3-Methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155535611
4-[5-(4-Methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155553248
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1000608
(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 649580
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 16321869
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 2608184
4-[5-(3-Methoxyphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155526446
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-oxo-2-(4-phenylpiperazino)ethyl]-1H-pyrazole-4-sulfonamide
CID 16007493
N-Benzyl-N-ethyl-2-[N-(4-methoxyphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 16007519
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide
CID 5308173
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 16308198

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 4808733) is (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1.
What is the InChIKey of (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VXFSZWXGIQDUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-17-22(18(2)27(24-17)19-7-5-4-6-8-19)23(28)25-13-15-26(16-14-25)32(29,30)21-11-9-20(31-3)10-12-21/h4-12H,13-16H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 454.55 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4808733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).