1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C25H23N5O3S2 — CID 42285448

IUPAC1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1c(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23N5O3S2/c1-18-23(25(31)30(28(18)2)20-12-7-4-8-13-20)27-35(32,33)22-17-29(16-19-10-5-3-6-11-19)26-24(22)21-14-9-15-34-21/h3-15,17,27H,16H2,1-2H3
InChIKeyMIWCRNVNPHIYOO-UHFFFAOYSA-N
MW505.63 g/mol
LogP4.26
Rot. Bonds7

About 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide

1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285448) has the molecular formula C25H23N5O3S2 and a molecular weight of 505.63 g/mol. Its IUPAC name is 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285448
Molecular FormulaC25H23N5O3S2
Molecular Weight505.63 g/mol
Exact Mass505.12
IUPAC Name1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1c(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23N5O3S2/c1-18-23(25(31)30(28(18)2)20-12-7-4-8-13-20)27-35(32,33)22-17-29(16-19-10-5-3-6-11-19)26-24(22)21-14-9-15-34-21/h3-15,17,27H,16H2,1-2H3
InChIKeyMIWCRNVNPHIYOO-UHFFFAOYSA-N
XLogP4.26
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide 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

1-benzyl-N-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285422
1-benzyl-N-(4-bromo-2-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285432
1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351775
ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 42285440
N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351271
2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol
CID 29384847
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 2862939
ethyl 4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 42351367
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,5-trimethylbenzenesulfonamide
CID 7573888
4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 2329120
1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351426
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285448) is 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide is Cc1c(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is MIWCRNVNPHIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S2/c1-18-23(25(31)30(28(18)2)20-12-7-4-8-13-20)27-35(32,33)22-17-29(16-19-10-5-3-6-11-19)26-24(22)21-14-9-15-34-21/h3-15,17,27H,16H2,1-2H3.
What are the key properties of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 505.63 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).