ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate

C19H18N2O3 — CID 135029757

IUPACethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(/C=C/c3cccc(OC)c3)c2c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)14-8-10-18-16(12-14)17(20-21-18)9-7-13-5-4-6-15(11-13)23-2/h4-12H,3H2,1-2H3,(H,20,21)/b9-7+
InChIKeyGEJGTCZKJCFXET-VQHVLOKHSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds5

About ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate

ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate (PubChem CID 135029757) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate
PubChem CID135029757
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(/C=C/c3cccc(OC)c3)c2c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)14-8-10-18-16(12-14)17(20-21-18)9-7-13-5-4-6-15(11-13)23-2/h4-12H,3H2,1-2H3,(H,20,21)/b9-7+
InChIKeyGEJGTCZKJCFXET-VQHVLOKHSA-N
XLogP3.92
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-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

2-phenoxyethyl 1H-indazole-3-carboxylate
CID 2088069
(E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-1H-indazol-5-yl]-but-2-enoic acid
CID 10112018
3-(5-ethoxy-1H-indazol-3-yl)benzamide
CID 71682140
(E)-1-(4-aminophenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117928209
(E)-1-(4-aminophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117935784
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
(3-fluoro-4-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2126218
(6,7-dimethyl-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate
CID 2448632
2-(2,6-dimethylphenoxy)ethyl 1H-indazole-3-carboxylate
CID 2547949
(7-methyl-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate
CID 2561495
(7-ethyl-2-oxochromen-4-yl)methyl 1H-indazole-3-carboxylate
CID 2998329
ethyl 3-(1H-indazol-3-yl)benzoate
CID 44451630

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate?
The IUPAC name of ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate (CID 135029757) is ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate?
The canonical SMILES for ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate is CCOC(=O)c1ccc2[nH]nc(/C=C/c3cccc(OC)c3)c2c1.
What is the InChIKey of ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate?
The InChIKey is GEJGTCZKJCFXET-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(22)14-8-10-18-16(12-14)17(20-21-18)9-7-13-5-4-6-15(11-13)23-2/h4-12H,3H2,1-2H3,(H,20,21)/b9-7+.
What are the key properties of ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate?
ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate is sourced from PubChem (CID 135029757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).