[4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone

C22H24N4O3S — CID 4808765

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N4O3S/c1-17-21(18(2)26(23-17)19-9-5-3-6-10-19)22(27)24-13-15-25(16-14-24)30(28,29)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3
InChIKeyUUTHTPMRPGRNOC-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.64
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 4808765) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
PubChem CID4808765
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N4O3S/c1-17-21(18(2)26(23-17)19-9-5-3-6-10-19)22(27)24-13-15-25(16-14-24)30(28,29)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3
InChIKeyUUTHTPMRPGRNOC-UHFFFAOYSA-N
XLogP2.64
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-Phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155557877
[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 2710663
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 5309115
1-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine
CID 16307323
1-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carbonyl}-4-(2-phenylethenesulfonyl)piperazine
CID 16307324
(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16317097
[4-(Benzenesulfonyl)piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 16327075
(1,3-Diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16550725
[4-(2,6-Difluorophenyl)sulfonylpiperazin-1-yl]-(1,3-diphenylpyrazol-5-yl)methanone
CID 24981098
(3,5-Dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 978267
N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57398257
3,5-dimethyl-N-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 16392922

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone (CID 4808765) is [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone is Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is UUTHTPMRPGRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-17-21(18(2)26(23-17)19-9-5-3-6-10-19)22(27)24-13-15-25(16-14-24)30(28,29)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 424.53 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 4808765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).