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

C13H18N4O2S — CID 60813353

IUPAC3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(C)cc2)c(N)n1
InChIInChI=1S/C13H18N4O2S/c1-3-17-9-12(13(14)16-17)20(18,19)15-8-11-6-4-10(2)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyNRWBFLUDFNLQSI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.27
Rot. Bonds5

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

3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 60813353) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID60813353
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(C)cc2)c(N)n1
InChIInChI=1S/C13H18N4O2S/c1-3-17-9-12(13(14)16-17)20(18,19)15-8-11-6-4-10(2)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyNRWBFLUDFNLQSI-UHFFFAOYSA-N
XLogP1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 62991122
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 60808107
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide (CID 60813353) is 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccc(C)cc2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is NRWBFLUDFNLQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-17-9-12(13(14)16-17)20(18,19)15-8-11-6-4-10(2)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 60813353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).