[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate

C16H17FN2O2 — CID 15229928

IUPAC[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate
SMILESCC(=O)OCc1c2c(nn1-c1ccc(F)cc1)CCCC2
InChIInChI=1S/C16H17FN2O2/c1-11(20)21-10-16-14-4-2-3-5-15(14)18-19(16)13-8-6-12(17)7-9-13/h6-9H,2-5,10H2,1H3
InChIKeyOSXZIWUVHXKVND-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.95
Rot. Bonds3

About [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate

[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate (PubChem CID 15229928) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate
PubChem CID15229928
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate
SMILESCC(=O)OCc1c2c(nn1-c1ccc(F)cc1)CCCC2
InChIInChI=1S/C16H17FN2O2/c1-11(20)21-10-16-14-4-2-3-5-15(14)18-19(16)13-8-6-12(17)7-9-13/h6-9H,2-5,10H2,1H3
InChIKeyOSXZIWUVHXKVND-UHFFFAOYSA-N
XLogP2.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate?
The IUPAC name of [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate (CID 15229928) is [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate?
The canonical SMILES for [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate is CC(=O)OCc1c2c(nn1-c1ccc(F)cc1)CCCC2.
What is the InChIKey of [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate?
The InChIKey is OSXZIWUVHXKVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(20)21-10-16-14-4-2-3-5-15(14)18-19(16)13-8-6-12(17)7-9-13/h6-9H,2-5,10H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate?
[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate has a molecular weight of 288.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methyl acetate is sourced from PubChem (CID 15229928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).