1-propan-2-ylpyrazole-3-sulfonamide

C6H11N3O2S — CID 122480685

IUPAC1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C6H11N3O2S/c1-5(2)9-4-3-6(8-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
InChIKeyGHNBPPOAWRAEJT-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.11
Rot. Bonds2

About 1-propan-2-ylpyrazole-3-sulfonamide

1-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 122480685) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-propan-2-ylpyrazole-3-sulfonamide
PubChem CID122480685
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C6H11N3O2S/c1-5(2)9-4-3-6(8-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
InChIKeyGHNBPPOAWRAEJT-UHFFFAOYSA-N
XLogP0.11
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-ylpyrazole-3-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-Methyl-1H-pyrazole-3-sulfonyl chloride
CID 13474466
1-methyl-1H-pyrazole-3-sulfonamide
CID 14835643
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-ethyl-1H-pyrazole-5-sulfonyl chloride
CID 18981633
1-methyl-1H-pyrazole-5-sulfonamide
CID 22420731
1-Methyl-1H-pyrazole-5-sulfonyl chloride
CID 22472621
1-(propan-2-yl)-1H-pyrazole-5-sulfonyl chloride
CID 45923687
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61394736
1-ethyl-1H-pyrazole-3-sulfonyl chloride
CID 66509456
1H-Pyrazole-3-sulfonyl chloride, 1-(1-methylethyl)-
CID 66509457
1H-Pyrazole-3-sulfonyl chloride, 1-(2,2,2-trifluoroethyl)-
CID 66509474
1-(methoxymethyl)-1H-pyrazole-5-sulfonyl chloride
CID 75481045

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 1-propan-2-ylpyrazole-3-sulfonamide (CID 122480685) is 1-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 1-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 1-propan-2-ylpyrazole-3-sulfonamide is CC(C)n1ccc(S(N)(=O)=O)n1.
What is the InChIKey of 1-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is GHNBPPOAWRAEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-5(2)9-4-3-6(8-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11).
What are the key properties of 1-propan-2-ylpyrazole-3-sulfonamide?
1-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 122480685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).