3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide

C9H14N6O2S — CID 60808801

IUPAC3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cn(C)nc2N)cn1
InChIInChI=1S/C9H14N6O2S/c1-3-15-5-7(4-11-15)13-18(16,17)8-6-14(2)12-9(8)10/h4-6,13H,3H2,1-2H3,(H2,10,12)
InChIKeyGZLBISWZDLEVSU-UHFFFAOYSA-N
MW270.32 g/mol
LogP0.02
Rot. Bonds4

About 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 60808801) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID60808801
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cn(C)nc2N)cn1
InChIInChI=1S/C9H14N6O2S/c1-3-15-5-7(4-11-15)13-18(16,17)8-6-14(2)12-9(8)10/h4-6,13H,3H2,1-2H3,(H2,10,12)
InChIKeyGZLBISWZDLEVSU-UHFFFAOYSA-N
XLogP0.02
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide (CID 60808801) is 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide is CCn1cc(NS(=O)(=O)c2cn(C)nc2N)cn1.
What is the InChIKey of 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GZLBISWZDLEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-3-15-5-7(4-11-15)13-18(16,17)8-6-14(2)12-9(8)10/h4-6,13H,3H2,1-2H3,(H2,10,12).
What are the key properties of 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 270.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).