3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide

C11H22N4O3S — CID 104758504

IUPAC3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)(C)OC)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-5-6-15-7-9(10(12)14-15)19(16,17)13-8-11(2,3)18-4/h7,13H,5-6,8H2,1-4H3,(H2,12,14)
InChIKeyTWZXZSABUZZNJJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.58
Rot. Bonds7

About 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 104758504) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
PubChem CID104758504
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)(C)OC)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-5-6-15-7-9(10(12)14-15)19(16,17)13-8-11(2,3)18-4/h7,13H,5-6,8H2,1-4H3,(H2,12,14)
InChIKeyTWZXZSABUZZNJJ-UHFFFAOYSA-N
XLogP0.58
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115515192
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106369265
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide (CID 104758504) is 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(C)(C)OC)c(N)n1.
What is the InChIKey of 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is TWZXZSABUZZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-5-6-15-7-9(10(12)14-15)19(16,17)13-8-11(2,3)18-4/h7,13H,5-6,8H2,1-4H3,(H2,12,14).
What are the key properties of 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 104758504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).