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

C13H17FN4O2S — CID 60809119

IUPAC3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cccc(F)c2)c(N)n1
InChIInChI=1S/C13H17FN4O2S/c1-2-18-9-12(13(15)17-18)21(19,20)16-7-6-10-4-3-5-11(14)8-10/h3-5,8-9,16H,2,6-7H2,1H3,(H2,15,17)
InChIKeyPIKMUOWZPGKMKC-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.15
Rot. Bonds6

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

3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 60809119) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID60809119
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cccc(F)c2)c(N)n1
InChIInChI=1S/C13H17FN4O2S/c1-2-18-9-12(13(15)17-18)21(19,20)16-7-6-10-4-3-5-11(14)8-10/h3-5,8-9,16H,2,6-7H2,1H3,(H2,15,17)
InChIKeyPIKMUOWZPGKMKC-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-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
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
4-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357986
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26545349
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 60815193
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-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide (CID 60809119) is 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2cccc(F)c2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is PIKMUOWZPGKMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-2-18-9-12(13(15)17-18)21(19,20)16-7-6-10-4-3-5-11(14)8-10/h3-5,8-9,16H,2,6-7H2,1H3,(H2,15,17).
What are the key properties of 3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[2-(3-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-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 60809119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).