5-methyl-1-propan-2-ylpyrazole-3-sulfonamide

C7H13N3O2S — CID 134258250

IUPAC5-methyl-1-propan-2-ylpyrazole-3-sulfonamide
SMILESCc1cc(S(N)(=O)=O)nn1C(C)C
InChIInChI=1S/C7H13N3O2S/c1-5(2)10-6(3)4-7(9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)
InChIKeyCZVVFYSGPJMPFA-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.42
Rot. Bonds2

About 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide

5-methyl-1-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 134258250) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylpyrazole-3-sulfonamide
PubChem CID134258250
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name5-methyl-1-propan-2-ylpyrazole-3-sulfonamide
SMILESCc1cc(S(N)(=O)=O)nn1C(C)C
InChIInChI=1S/C7H13N3O2S/c1-5(2)10-6(3)4-7(9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)
InChIKeyCZVVFYSGPJMPFA-UHFFFAOYSA-N
XLogP0.42
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide (CID 134258250) is 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide is Cc1cc(S(N)(=O)=O)nn1C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is CZVVFYSGPJMPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5(2)10-6(3)4-7(9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12).
What are the key properties of 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide?
5-methyl-1-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 134258250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).