N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide

C12H20N6O2S — CID 106090329

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C12H20N6O2S/c1-5-9-11(7-18(4)16-9)17-21(19,20)12-8(2)14-15-10(12)6-13-3/h7,13,17H,5-6H2,1-4H3,(H,14,15)
InChIKeyWLKCONYGUVQXAU-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.53
Rot. Bonds6

About N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide

N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106090329) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106090329
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C12H20N6O2S/c1-5-9-11(7-18(4)16-9)17-21(19,20)12-8(2)14-15-10(12)6-13-3/h7,13,17H,5-6H2,1-4H3,(H,14,15)
InChIKeyWLKCONYGUVQXAU-UHFFFAOYSA-N
XLogP0.53
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
5-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106076387
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
N-(3-bromo-2-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106088134
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106000617
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462048
N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
CID 106090358
3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
CID 106032980

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (CID 106090329) is N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1c(CNC)n[nH]c1C.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WLKCONYGUVQXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-5-9-11(7-18(4)16-9)17-21(19,20)12-8(2)14-15-10(12)6-13-3/h7,13,17H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106090329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).