N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide

C8H13N3O2S — CID 47267289

IUPACN-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2S/c1-2-11(7-3-4-7)14(12,13)8-5-9-10-6-8/h5-7H,2-4H2,1H3,(H,9,10)
InChIKeyRBIFGUTXOYRJJH-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.58
Rot. Bonds4

About N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide

N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267289) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide
PubChem CID47267289
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2S/c1-2-11(7-3-4-7)14(12,13)8-5-9-10-6-8/h5-7H,2-4H2,1H3,(H,9,10)
InChIKeyRBIFGUTXOYRJJH-UHFFFAOYSA-N
XLogP0.58
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide (CID 47267289) is N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide is CCN(C1CC1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RBIFGUTXOYRJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-11(7-3-4-7)14(12,13)8-5-9-10-6-8/h5-7H,2-4H2,1H3,(H,9,10).
What are the key properties of N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).