ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate

C11H9F3N2O3 — CID 133062991

IUPACethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2cccc(OC(F)(F)F)c12
InChIInChI=1S/C11H9F3N2O3/c1-2-18-10(17)9-8-6(15-16-9)4-3-5-7(8)19-11(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyGGCYIRPLOJMWPQ-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.64
Rot. Bonds3

About ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate

ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate (PubChem CID 133062991) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate
PubChem CID133062991
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Nameethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2cccc(OC(F)(F)F)c12
InChIInChI=1S/C11H9F3N2O3/c1-2-18-10(17)9-8-6(15-16-9)4-3-5-7(8)19-11(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyGGCYIRPLOJMWPQ-UHFFFAOYSA-N
XLogP2.64
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-phenyl-5-(trifluoromethoxy)cinnoline-3-carboxylate
CID 175417453
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate
CID 134178727
ethyl 1-phenyl-4-(trifluoromethoxy)pyrazole-3-carboxylate
CID 175260189
ethyl 5-[4-iodo-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401462
ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate
CID 21390887
ethyl 5-bromo-4-nitro-1H-indazole-3-carboxylate
CID 76846261
ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 62188335
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969
ethyl 2-(2-chloropropanoyl)-3-(trifluoromethoxy)benzoate
CID 134644964
ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
CID 134640978
ethenyl 4-acetyl-1H-indazole-3-carboxylate
CID 67480598

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate?
The IUPAC name of ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate (CID 133062991) is ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate.
What is the SMILES notation for ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate?
The canonical SMILES for ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate is CCOC(=O)c1n[nH]c2cccc(OC(F)(F)F)c12.
What is the InChIKey of ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate?
The InChIKey is GGCYIRPLOJMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-2-18-10(17)9-8-6(15-16-9)4-3-5-7(8)19-11(12,13)14/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate?
ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate has a molecular weight of 274.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate is sourced from PubChem (CID 133062991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).