ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate

C16H13FN2O2 — CID 22479944

IUPACethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)11-5-8-14-13(9-11)15(19-18-14)10-3-6-12(17)7-4-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyKEQFOTVNEVWRDI-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.55
Rot. Bonds3

About ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate

ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate (PubChem CID 22479944) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
PubChem CID22479944
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Nameethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)11-5-8-14-13(9-11)15(19-18-14)10-3-6-12(17)7-4-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyKEQFOTVNEVWRDI-UHFFFAOYSA-N
XLogP3.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate (CID 22479944) is ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate is CCOC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate?
The InChIKey is KEQFOTVNEVWRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-21-16(20)11-5-8-14-13(9-11)15(19-18-14)10-3-6-12(17)7-4-10/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate?
ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate is sourced from PubChem (CID 22479944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).