3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide

C10H20N4O3S — CID 105359319

IUPAC3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC(C)(C)CCO)c(N)nn1C
InChIInChI=1S/C10H20N4O3S/c1-7-8(9(11)12-14(7)4)18(16,17)13-10(2,3)5-6-15/h13,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyDLQCMIWBMUHMBP-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.25
Rot. Bonds5

About 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105359319) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105359319
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC(C)(C)CCO)c(N)nn1C
InChIInChI=1S/C10H20N4O3S/c1-7-8(9(11)12-14(7)4)18(16,17)13-10(2,3)5-6-15/h13,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyDLQCMIWBMUHMBP-UHFFFAOYSA-N
XLogP-0.25
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358853
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 105359246
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
CID 105359344
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
CID 106233760
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105359319) is 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC(C)(C)CCO)c(N)nn1C.
What is the InChIKey of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is DLQCMIWBMUHMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-7-8(9(11)12-14(7)4)18(16,17)13-10(2,3)5-6-15/h13,15H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).