N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide

C9H15N3O2S — CID 19681075

IUPACN-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CC2)c(C)n1
InChIInChI=1S/C9H15N3O2S/c1-3-12-6-9(7(2)10-12)15(13,14)11-8-4-5-8/h6,8,11H,3-5H2,1-2H3
InChIKeyAKWKAZQBXHLNHS-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.65
Rot. Bonds4

About N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide

N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 19681075) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID19681075
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CC2)c(C)n1
InChIInChI=1S/C9H15N3O2S/c1-3-12-6-9(7(2)10-12)15(13,14)11-8-4-5-8/h6,8,11H,3-5H2,1-2H3
InChIKeyAKWKAZQBXHLNHS-UHFFFAOYSA-N
XLogP0.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 19681075) is N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CC2)c(C)n1.
What is the InChIKey of N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is AKWKAZQBXHLNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-12-6-9(7(2)10-12)15(13,14)11-8-4-5-8/h6,8,11H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).