3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide

C13H18N4O3S — CID 60808107

IUPAC3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccc2OC)c(N)n1
InChIInChI=1S/C13H18N4O3S/c1-3-17-9-12(13(14)16-17)21(18,19)15-8-10-6-4-5-7-11(10)20-2/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyLTIAAPUXENLXCP-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.97
Rot. Bonds6

About 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide

3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 60808107) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID60808107
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccccc2OC)c(N)n1
InChIInChI=1S/C13H18N4O3S/c1-3-17-9-12(13(14)16-17)21(18,19)15-8-10-6-4-5-7-11(10)20-2/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyLTIAAPUXENLXCP-UHFFFAOYSA-N
XLogP0.97
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106259655
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 62991122
3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358092
3-amino-N-(2-methoxyphenyl)-1-propylpyrazole-4-sulfonamide
CID 60810232
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
CID 126966436

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide (CID 60808107) is 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccccc2OC)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is LTIAAPUXENLXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-3-17-9-12(13(14)16-17)21(18,19)15-8-10-6-4-5-7-11(10)20-2/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 60808107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).