3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide

C10H20N4O4S — CID 105358755

IUPAC3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H20N4O4S/c1-7-9(10(11)12-14(7)3)19(16,17)13(2)5-8(15)6-18-4/h8,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWFPKEIATFOLFTG-UHFFFAOYSA-N
MW292.36 g/mol
LogP-1.06
Rot. Bonds6

About 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide

3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide (PubChem CID 105358755) has the molecular formula C10H20N4O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
PubChem CID105358755
Molecular FormulaC10H20N4O4S
Molecular Weight292.36 g/mol
Exact Mass292.12
IUPAC Name3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H20N4O4S/c1-7-9(10(11)12-14(7)3)19(16,17)13(2)5-8(15)6-18-4/h8,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWFPKEIATFOLFTG-UHFFFAOYSA-N
XLogP-1.06
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359279
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate
CID 105358757
2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153874
ethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 105358639
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 54999137
1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
CID 79373739
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide (CID 105358755) is 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is WFPKEIATFOLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S/c1-7-9(10(11)12-14(7)3)19(16,17)13(2)5-8(15)6-18-4/h8,15H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).