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

C13H17FN4O2S — CID 60809082

IUPAC3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C13H17FN4O2S/c1-2-18-9-12(13(15)17-18)21(19,20)16-8-7-10-3-5-11(14)6-4-10/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17)
InChIKeyUHWIWZRKDDGUMR-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.15
Rot. Bonds6

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

3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 60809082) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID60809082
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C13H17FN4O2S/c1-2-18-9-12(13(15)17-18)21(19,20)16-8-7-10-3-5-11(14)6-4-10/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17)
InChIKeyUHWIWZRKDDGUMR-UHFFFAOYSA-N
XLogP1.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809119
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
CID 60895719
3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814017
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62163350

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide (CID 60809082) is 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is UHWIWZRKDDGUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-2-18-9-12(13(15)17-18)21(19,20)16-8-7-10-3-5-11(14)6-4-10/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17).
What are the key properties of 3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.15, 6 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-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 60809082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).