3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide

C8H16N4O3S — CID 105358300

IUPAC3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)O)c(N)nn1C
InChIInChI=1S/C8H16N4O3S/c1-5(13)4-10-16(14,15)7-6(2)12(3)11-8(7)9/h5,10,13H,4H2,1-3H3,(H2,9,11)
InChIKeyQYGGHACFNKOASO-UHFFFAOYSA-N
MW248.31 g/mol
LogP-1.03
Rot. Bonds4

About 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358300) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358300
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)O)c(N)nn1C
InChIInChI=1S/C8H16N4O3S/c1-5(13)4-10-16(14,15)7-6(2)12(3)11-8(7)9/h5,10,13H,4H2,1-3H3,(H2,9,11)
InChIKeyQYGGHACFNKOASO-UHFFFAOYSA-N
XLogP-1.03
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 105359246
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
CID 105359344
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
CID 106233760
3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
CID 105358385
N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
CID 76953266
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359319

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358300) is 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(C)O)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is QYGGHACFNKOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-5(13)4-10-16(14,15)7-6(2)12(3)11-8(7)9/h5,10,13H,4H2,1-3H3,(H2,9,11).
What are the key properties of 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).