N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide

C10H19N3O4S — CID 114135418

IUPACN-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1n[nH]c(C)c1CO
InChIInChI=1S/C10H19N3O4S/c1-4-17-7(2)5-11-18(15,16)10-9(6-14)8(3)12-13-10/h7,11,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyHBUUHJPJPMQPQB-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.09
Rot. Bonds7

About N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide

N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 114135418) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID114135418
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1n[nH]c(C)c1CO
InChIInChI=1S/C10H19N3O4S/c1-4-17-7(2)5-11-18(15,16)10-9(6-14)8(3)12-13-10/h7,11,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyHBUUHJPJPMQPQB-UHFFFAOYSA-N
XLogP-0.09
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 115409012
N-(2-ethylhexyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 107818649
N-(2,2-difluoroethyl)-5-methyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-3-sulfonamide
CID 115409187
5-methyl-N-(2-propan-2-yloxyethyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106077561
2-ethoxypropylsulfamic acid
CID 174221196
4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106001618
N-(2-cyclopropylpropan-2-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106001191
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106044354
N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115664893
2-ethoxy-1-(sulfamoylamino)propane
CID 115650675
5-methyl-N-(3-methylbutyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106059200
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 114135418) is N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide is CCOC(C)CNS(=O)(=O)c1n[nH]c(C)c1CO.
What is the InChIKey of N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is HBUUHJPJPMQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-4-17-7(2)5-11-18(15,16)10-9(6-14)8(3)12-13-10/h7,11,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 114135418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).