1-methyl-4-propan-2-ylpyrazole-3-sulfonamide

C7H13N3O2S — CID 134247755

IUPAC1-methyl-4-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)c1cn(C)nc1S(N)(=O)=O
InChIInChI=1S/C7H13N3O2S/c1-5(2)6-4-10(3)9-7(6)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)
InChIKeyAUCFIVOSWPLYMM-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.19
Rot. Bonds2

About 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide

1-methyl-4-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 134247755) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpyrazole-3-sulfonamide
PubChem CID134247755
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-methyl-4-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)c1cn(C)nc1S(N)(=O)=O
InChIInChI=1S/C7H13N3O2S/c1-5(2)6-4-10(3)9-7(6)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)
InChIKeyAUCFIVOSWPLYMM-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide (CID 134247755) is 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide is CC(C)c1cn(C)nc1S(N)(=O)=O.
What is the InChIKey of 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is AUCFIVOSWPLYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5(2)6-4-10(3)9-7(6)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12).
What are the key properties of 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide?
1-methyl-4-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 134247755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).