3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide

C12H15FN4O2S — CID 60808925

IUPAC3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C12H15FN4O2S/c1-17-8-11(12(14)16-17)20(18,19)15-7-6-9-2-4-10(13)5-3-9/h2-5,8,15H,6-7H2,1H3,(H2,14,16)
InChIKeyKWECHLPEEVDQQJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.66
Rot. Bonds5

About 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 60808925) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID60808925
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C12H15FN4O2S/c1-17-8-11(12(14)16-17)20(18,19)15-7-6-9-2-4-10(13)5-3-9/h2-5,8,15H,6-7H2,1H3,(H2,14,16)
InChIKeyKWECHLPEEVDQQJ-UHFFFAOYSA-N
XLogP0.66
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 63795143
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62163350
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809119
3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
CID 106208401
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 60808925) is 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(N)n1.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is KWECHLPEEVDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-17-8-11(12(14)16-17)20(18,19)15-7-6-9-2-4-10(13)5-3-9/h2-5,8,15H,6-7H2,1H3,(H2,14,16).
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 298.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).