3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide

C8H12N6O2S — CID 63565025

IUPAC3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1
InChIInChI=1S/C8H12N6O2S/c1-2-14-5-6(7(9)12-14)17(15,16)13-8-10-3-4-11-8/h3-5H,2H2,1H3,(H2,9,12)(H2,10,11,13)
InChIKeyCCXMCZFJCWJEQS-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.01
Rot. Bonds4

About 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 63565025) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide
PubChem CID63565025
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1
InChIInChI=1S/C8H12N6O2S/c1-2-14-5-6(7(9)12-14)17(15,16)13-8-10-3-4-11-8/h3-5H,2H2,1H3,(H2,9,12)(H2,10,11,13)
InChIKeyCCXMCZFJCWJEQS-UHFFFAOYSA-N
XLogP0.01
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide (CID 63565025) is 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is CCXMCZFJCWJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-2-14-5-6(7(9)12-14)17(15,16)13-8-10-3-4-11-8/h3-5H,2H2,1H3,(H2,9,12)(H2,10,11,13).
What are the key properties of 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(1H-imidazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 63565025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).