5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide

C9H18N4O3S — CID 82460030

IUPAC5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C9H18N4O3S/c1-7-8(9(10)13(2)12-7)17(14,15)11-5-4-6-16-3/h11H,4-6,10H2,1-3H3
InChIKeyJPNDYQYGVMIADC-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.37
Rot. Bonds6

About 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide

5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 82460030) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID82460030
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C9H18N4O3S/c1-7-8(9(10)13(2)12-7)17(14,15)11-5-4-6-16-3/h11H,4-6,10H2,1-3H3
InChIKeyJPNDYQYGVMIADC-UHFFFAOYSA-N
XLogP-0.37
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105359038
3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359159
3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide
CID 105359160

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 82460030) is 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide is COCCCNS(=O)(=O)c1c(C)nn(C)c1N.
What is the InChIKey of 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is JPNDYQYGVMIADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-7-8(9(10)13(2)12-7)17(14,15)11-5-4-6-16-3/h11H,4-6,10H2,1-3H3.
What are the key properties of 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 82460030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).