3-cyclopropyl-1-methylpyrazole-5-sulfonamide

C7H11N3O2S — CID 63354351

IUPAC3-cyclopropyl-1-methylpyrazole-5-sulfonamide
SMILESCn1nc(C2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O2S/c1-10-7(13(8,11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,11,12)
InChIKeyOZIMNISHAQLNJT-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.06
Rot. Bonds2

About 3-cyclopropyl-1-methylpyrazole-5-sulfonamide

3-cyclopropyl-1-methylpyrazole-5-sulfonamide (PubChem CID 63354351) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methylpyrazole-5-sulfonamide
PubChem CID63354351
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name3-cyclopropyl-1-methylpyrazole-5-sulfonamide
SMILESCn1nc(C2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O2S/c1-10-7(13(8,11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,11,12)
InChIKeyOZIMNISHAQLNJT-UHFFFAOYSA-N
XLogP-0.06
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-sulfonamide (CID 63354351) is 3-cyclopropyl-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 3-cyclopropyl-1-methylpyrazole-5-sulfonamide is Cn1nc(C2CC2)cc1S(N)(=O)=O.
What is the InChIKey of 3-cyclopropyl-1-methylpyrazole-5-sulfonamide?
The InChIKey is OZIMNISHAQLNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-10-7(13(8,11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,11,12).
What are the key properties of 3-cyclopropyl-1-methylpyrazole-5-sulfonamide?
3-cyclopropyl-1-methylpyrazole-5-sulfonamide has a molecular weight of 201.25 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 63354351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).