N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C13H26N4O2S — CID 107818708

IUPACN-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C13H26N4O2S/c1-4-6-7-11(5-2)8-16-20(18,19)13-12(9-14-3)10-15-17-13/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyBELRUDXVGGSPBR-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.62
Rot. Bonds10

About N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107818708) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID107818708
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C13H26N4O2S/c1-4-6-7-11(5-2)8-16-20(18,19)13-12(9-14-3)10-15-17-13/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyBELRUDXVGGSPBR-UHFFFAOYSA-N
XLogP1.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522942
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 107818779
N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 107818786
4-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106054558
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 102701565

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 107818708) is N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1[nH]ncc1CNC.
What is the InChIKey of N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is BELRUDXVGGSPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-4-6-7-11(5-2)8-16-20(18,19)13-12(9-14-3)10-15-17-13/h10-11,14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.62, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107818708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).