N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide

C12H24N4O3S — CID 106057161

IUPACN-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1c(CNC(C)C)n[nH]c1C
InChIInChI=1S/C12H24N4O3S/c1-8(2)13-6-11-12(10(4)14-15-11)20(17,18)16-9(3)7-19-5/h8-9,13,16H,6-7H2,1-5H3,(H,14,15)
InChIKeyHELBHRVMIYACHD-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.53
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide

N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106057161) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID106057161
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1c(CNC(C)C)n[nH]c1C
InChIInChI=1S/C12H24N4O3S/c1-8(2)13-6-11-12(10(4)14-15-11)20(17,18)16-9(3)7-19-5/h8-9,13,16H,6-7H2,1-5H3,(H,14,15)
InChIKeyHELBHRVMIYACHD-UHFFFAOYSA-N
XLogP0.53
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

5-methyl-N-(2-methylsulfanylpropyl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106077898
N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106068450
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114135571
5-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106072521
N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894
3-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 102701655
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
N-[2-(2,2-difluoroethoxy)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106001528
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide (CID 106057161) is N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide is COCC(C)NS(=O)(=O)c1c(CNC(C)C)n[nH]c1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is HELBHRVMIYACHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-8(2)13-6-11-12(10(4)14-15-11)20(17,18)16-9(3)7-19-5/h8-9,13,16H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide?
N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106057161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).