1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide

C13H21N5O2S — CID 71688180

IUPAC1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)cc1NS(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C13H21N5O2S/c1-6-17-11(5)13(10(4)15-17)21(19,20)16-12-8-9(3)14-18(12)7-2/h8,16H,6-7H2,1-5H3
InChIKeyMYAZMGSSPQCWPC-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.85
Rot. Bonds5

About 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide

1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 71688180) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID71688180
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)cc1NS(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C13H21N5O2S/c1-6-17-11(5)13(10(4)15-17)21(19,20)16-12-8-9(3)14-18(12)7-2/h8,16H,6-7H2,1-5H3
InChIKeyMYAZMGSSPQCWPC-UHFFFAOYSA-N
XLogP1.85
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide (CID 71688180) is 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)cc1NS(=O)(=O)c1c(C)nn(CC)c1C.
What is the InChIKey of 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is MYAZMGSSPQCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-6-17-11(5)13(10(4)15-17)21(19,20)16-12-8-9(3)14-18(12)7-2/h8,16H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide?
1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-ethyl-5-methylpyrazol-3-yl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).