3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide

C10H20N4O3S — CID 61126800

IUPAC3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H20N4O3S/c1-8(2)14(5-4-6-15)18(16,17)9-7-13(3)12-10(9)11/h7-8,15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyJWESPOAGYLSBPC-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.22
Rot. Bonds6

About 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide

3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 61126800) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
PubChem CID61126800
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H20N4O3S/c1-8(2)14(5-4-6-15)18(16,17)9-7-13(3)12-10(9)11/h7-8,15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyJWESPOAGYLSBPC-UHFFFAOYSA-N
XLogP-0.22
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126801
3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283498
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 60810084
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808134
methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140349
6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide
CID 64599948
3-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596982
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107552
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 61240297

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide (CID 61126800) is 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide is CC(C)N(CCCO)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is JWESPOAGYLSBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-8(2)14(5-4-6-15)18(16,17)9-7-13(3)12-10(9)11/h7-8,15H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 61126800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).