3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide

C11H22N4O3S — CID 105358853

IUPAC3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C11H22N4O3S/c1-5-11(6-2,7-16)14-19(17,18)9-8(3)15(4)13-10(9)12/h14,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyCFFJIFNHANPBTD-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.14
Rot. Bonds6

About 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358853) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358853
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C11H22N4O3S/c1-5-11(6-2,7-16)14-19(17,18)9-8(3)15(4)13-10(9)12/h14,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyCFFJIFNHANPBTD-UHFFFAOYSA-N
XLogP0.14
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359319
N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62063301
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 62524294
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
4-amino-2,6-dibromo-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62523961
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
CID 105358385

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide (CID 105358853) is 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide is CCC(CC)(CO)NS(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is CFFJIFNHANPBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-5-11(6-2,7-16)14-19(17,18)9-8(3)15(4)13-10(9)12/h14,16H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).