3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide

C9H18N4O2S — CID 60810421

IUPAC3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H18N4O2S/c1-6(2)7(3)12-16(14,15)8-5-13(4)11-9(8)10/h5-7,12H,1-4H3,(H2,10,11)
InChIKeyNSMCUHKVPBLHJQ-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.33
Rot. Bonds4

About 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 60810421) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID60810421
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H18N4O2S/c1-6(2)7(3)12-16(14,15)8-5-13(4)11-9(8)10/h5-7,12H,1-4H3,(H2,10,11)
InChIKeyNSMCUHKVPBLHJQ-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 61240297
3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107213382
3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 106281103
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
CID 102694355
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866
3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 60808279
3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107860621
3-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylpyrazole-4-sulfonamide
CID 107150658
2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide (CID 60810421) is 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide is CC(C)C(C)NS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is NSMCUHKVPBLHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-6(2)7(3)12-16(14,15)8-5-13(4)11-9(8)10/h5-7,12H,1-4H3,(H2,10,11).
What are the key properties of 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60810421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).