5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H17FN4O2S — CID 56890412

IUPAC5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCS(=O)(=O)c2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C16H17FN4O2S/c1-2-13-11-16(21-15(20-13)7-8-19-21)18-9-10-24(22,23)14-5-3-12(17)4-6-14/h3-8,11,18H,2,9-10H2,1H3
InChIKeyBMGSZRGGRRBDIJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.32
Rot. Bonds6

About 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56890412) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56890412
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCS(=O)(=O)c2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C16H17FN4O2S/c1-2-13-11-16(21-15(20-13)7-8-19-21)18-9-10-24(22,23)14-5-3-12(17)4-6-14/h3-8,11,18H,2,9-10H2,1H3
InChIKeyBMGSZRGGRRBDIJ-UHFFFAOYSA-N
XLogP2.32
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56890412) is 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCCS(=O)(=O)c2ccc(F)cc2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BMGSZRGGRRBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-2-13-11-16(21-15(20-13)7-8-19-21)18-9-10-24(22,23)14-5-3-12(17)4-6-14/h3-8,11,18H,2,9-10H2,1H3.
What are the key properties of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56890412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).