[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C24H28N4O3S — CID 26313374

IUPAC[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C24H28N4O3S/c1-24(2,3)20-9-11-22(12-10-20)32(30,31)27-15-13-26(14-16-27)23(29)19-17-25-28(18-19)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3
InChIKeyFGIRXGPPCBGBQW-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.32
Rot. Bonds4

About [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 26313374) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID26313374
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C24H28N4O3S/c1-24(2,3)20-9-11-22(12-10-20)32(30,31)27-15-13-26(14-16-27)23(29)19-17-25-28(18-19)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3
InChIKeyFGIRXGPPCBGBQW-UHFFFAOYSA-N
XLogP3.32
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 17428329
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 46489017
[1-(3-chlorophenyl)pyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55883003
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 9150197
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
(E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 26832002
(4-benzylsulfonylpiperazin-1-yl)-[1-(4-bromophenyl)pyrazol-4-yl]methanone
CID 112832444

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 26313374) is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is FGIRXGPPCBGBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-24(2,3)20-9-11-22(12-10-20)32(30,31)27-15-13-26(14-16-27)23(29)19-17-25-28(18-19)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 452.58 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 26313374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).