ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate

C17H15FN2O2 — CID 58076131

IUPACethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate
SMILESCCOC(=O)n1nc(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C17H15FN2O2/c1-2-22-17(21)20-16-10-6-4-8-13(16)15(19-20)11-12-7-3-5-9-14(12)18/h3-10H,2,11H2,1H3
InChIKeyZOMWILAXNWIPAU-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.77
Rot. Bonds3

About ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate

ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate (PubChem CID 58076131) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate
PubChem CID58076131
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Nameethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate
SMILESCCOC(=O)n1nc(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C17H15FN2O2/c1-2-22-17(21)20-16-10-6-4-8-13(16)15(19-20)11-12-7-3-5-9-14(12)18/h3-10H,2,11H2,1H3
InChIKeyZOMWILAXNWIPAU-UHFFFAOYSA-N
XLogP3.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Inz-1
CID 3243873
Methyl 2-[3-(2,5-difluorophenyl)indazol-1-yl]acetate
CID 73506262
Methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73507132
Methyl 2-(3-(3-fluorophenyl)-1H-indazol-1-yl)acetate
CID 49835858
Methyl 2-[3-(2-fluorophenyl)indazol-1-yl]acetate
CID 73505836
Methyl 2-[3-(2,6-difluorophenyl)indazol-1-yl]acetate
CID 73506475
Methyl 2-[3-(5-fluoro-2-methylphenyl)indazol-1-yl]acetate
CID 73506476
Methyl 2-[3-(2,3-difluorophenyl)indazol-1-yl]acetate
CID 73506477
Methyl 2-[3-[3-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73506914
Methyl 2-[3-(2,4-difluorophenyl)indazol-1-yl]acetate
CID 73506913
Methyl indazole-1-carboxylate
CID 12285829
3-[4-(Trifluoromethyl)phenyl]-1H-indazole-1-acetic acid methyl ester
CID 49835854

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate?
The IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate (CID 58076131) is ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate.
What is the SMILES notation for ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate?
The canonical SMILES for ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate is CCOC(=O)n1nc(Cc2ccccc2F)c2ccccc21.
What is the InChIKey of ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate?
The InChIKey is ZOMWILAXNWIPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-22-17(21)20-16-10-6-4-8-13(16)15(19-20)11-12-7-3-5-9-14(12)18/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate?
ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorophenyl)methyl]indazole-1-carboxylate is sourced from PubChem (CID 58076131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).