3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

C9H18N4O2S — CID 105357896

IUPAC3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)C)c(N)nn1C
InChIInChI=1S/C9H18N4O2S/c1-6(2)5-11-16(14,15)8-7(3)13(4)12-9(8)10/h6,11H,5H2,1-4H3,(H2,10,12)
InChIKeyBDRXRYZBPVXRAU-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.25
Rot. Bonds4

About 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 105357896) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID105357896
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)C)c(N)nn1C
InChIInChI=1S/C9H18N4O2S/c1-6(2)5-11-16(14,15)8-7(3)13(4)12-9(8)10/h6,11H,5H2,1-4H3,(H2,10,12)
InChIKeyBDRXRYZBPVXRAU-UHFFFAOYSA-N
XLogP0.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
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
3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 105358787
3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
CID 105358385
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (CID 105357896) is 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(C)C)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is BDRXRYZBPVXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-6(2)5-11-16(14,15)8-7(3)13(4)12-9(8)10/h6,11H,5H2,1-4H3,(H2,10,12).
What are the key properties of 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105357896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).