3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

C12H17N3O2S2 — CID 42282427

IUPAC3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C12H17N3O2S2/c1-9(2)15-8-12(10(3)14-15)19(16,17)13-7-11-5-4-6-18-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyJBFHQLDLEXOVRL-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.31
Rot. Bonds5

About 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 42282427) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID42282427
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C12H17N3O2S2/c1-9(2)15-8-12(10(3)14-15)19(16,17)13-7-11-5-4-6-18-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyJBFHQLDLEXOVRL-UHFFFAOYSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-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

N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350344
N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282369
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 46957054
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346407
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 42282427) is 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is JBFHQLDLEXOVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-9(2)15-8-12(10(3)14-15)19(16,17)13-7-11-5-4-6-18-11/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42282427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).