ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate

C17H19FN2O2 — CID 70881189

IUPACethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate
SMILESCCOC(=O)CC1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-22-17(21)10-12-4-3-5-16-15(12)11-19-20(16)14-8-6-13(18)7-9-14/h6-9,11-12H,2-5,10H2,1H3
InChIKeyAXRAMAVGVLPUIZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.38
Rot. Bonds4

About ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate

ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate (PubChem CID 70881189) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate
PubChem CID70881189
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Nameethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate
SMILESCCOC(=O)CC1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-22-17(21)10-12-4-3-5-16-15(12)11-19-20(16)14-8-6-13(18)7-9-14/h6-9,11-12H,2-5,10H2,1H3
InChIKeyAXRAMAVGVLPUIZ-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate with MolForge

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Related Compounds

1-Phenyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 304691
Propionic acid, 2-(p-(2H-indazol-2-yl)phenyl)-, ethyl ester
CID 3067327
1-(3-Fluorophenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484370
1-(4-Methylphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484371
1-(2-Methylphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484372
1-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484375
1-Naphthalen-1-yl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484378
2-Phenyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484381
2-(4-Methylphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484383
2-(2-Methylphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484384
2-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484386
2-Naphthalen-1-yl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate (CID 70881189) is ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate is CCOC(=O)CC1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate?
The InChIKey is AXRAMAVGVLPUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-22-17(21)10-12-4-3-5-16-15(12)11-19-20(16)14-8-6-13(18)7-9-14/h6-9,11-12H,2-5,10H2,1H3.
What are the key properties of ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate?
ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate has a molecular weight of 302.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetate is sourced from PubChem (CID 70881189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).