N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide

C13H26N4O2S — CID 79470718

IUPACN-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C13H26N4O2S/c1-6-10(3)9-17(7-2)20(18,19)13-11(4)15-16-12(13)8-14-5/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyJXMXJASBVKRSIZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.49
Rot. Bonds8

About N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide

N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 79470718) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID79470718
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C13H26N4O2S/c1-6-10(3)9-17(7-2)20(18,19)13-11(4)15-16-12(13)8-14-5/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyJXMXJASBVKRSIZ-UHFFFAOYSA-N
XLogP1.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide (CID 79470718) is N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1c(CNC)n[nH]c1C.
What is the InChIKey of N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JXMXJASBVKRSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-6-10(3)9-17(7-2)20(18,19)13-11(4)15-16-12(13)8-14-5/h10,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79470718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).