N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide

C12H24N4O3S — CID 106068450

IUPACN-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C12H24N4O3S/c1-5-6-10(8-19-4)16-20(17,18)12-9(2)14-15-11(12)7-13-3/h10,13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyOZYOMTPUFFTLCY-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.53
Rot. Bonds9

About N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide

N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106068450) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106068450
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C12H24N4O3S/c1-5-6-10(8-19-4)16-20(17,18)12-9(2)14-15-11(12)7-13-3/h10,13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyOZYOMTPUFFTLCY-UHFFFAOYSA-N
XLogP0.53
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106057161
N-(3-butoxypropyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106080380
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
CID 106068456
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562
3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106084016
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
5-methyl-3-(methylaminomethyl)-N-(1H-pyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 114134468
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 79470718

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (CID 106068450) is N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is CCCC(COC)NS(=O)(=O)c1c(CNC)n[nH]c1C.
What is the InChIKey of N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OZYOMTPUFFTLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-5-6-10(8-19-4)16-20(17,18)12-9(2)14-15-11(12)7-13-3/h10,13,16H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106068450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).