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

C13H19N3O2S2 — CID 71997728

IUPAC1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H19N3O2S2/c1-10(2)16-8-13(7-14-16)20(17,18)15-11(3)6-12-4-5-19-9-12/h4-5,7-11,15H,6H2,1-3H3
InChIKeyWOLJLHDVICRHAP-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.43
Rot. Bonds6

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

1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide (PubChem CID 71997728) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
PubChem CID71997728
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H19N3O2S2/c1-10(2)16-8-13(7-14-16)20(17,18)15-11(3)6-12-4-5-19-9-12/h4-5,7-11,15H,6H2,1-3H3
InChIKeyWOLJLHDVICRHAP-UHFFFAOYSA-N
XLogP2.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 71806694
1-methyl-N-(2-(thiophen-3-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 71806710
1-methyl-N-[2-(1-thiophen-2-ylethylsulfanyl)ethyl]pyrazole-4-sulfonamide
CID 71995583
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 75387197
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)propane-1-sulfonamide
CID 86266413
1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 6468307
1-methyl-N-{[1-(thiophen-2-yl)cyclopentyl]methyl}-1H-pyrazole-4-sulfonamide
CID 71806722
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4-(thiophen-2-yl)piperidine
CID 71807066
N-cyclopropyl-1-methyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 72717928
dimethyl({2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}sulfamoyl)amine
CID 86266417
1-isopropyl-3,5-dimethyl-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 86266435
5-((1-ethyl-1H-pyrazol-4-yl)sulfonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride
CID 91623589

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide (CID 71997728) is 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide is CC(Cc1ccsc1)NS(=O)(=O)c1cnn(C(C)C)c1.
What is the InChIKey of 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is WOLJLHDVICRHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-10(2)16-8-13(7-14-16)20(17,18)15-11(3)6-12-4-5-19-9-12/h4-5,7-11,15H,6H2,1-3H3.
What are the key properties of 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71997728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).