ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate

C19H20N2O3 — CID 118693375

IUPACethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(cnn2Cc2ccc(OC)cc2)c1
InChIInChI=1S/C19H20N2O3/c1-3-24-19(22)11-15-6-9-18-16(10-15)12-20-21(18)13-14-4-7-17(23-2)8-5-14/h4-10,12H,3,11,13H2,1-2H3
InChIKeyCNKZHTNQBQDLMQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.20
Rot. Bonds6

About ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate

ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate (PubChem CID 118693375) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate
PubChem CID118693375
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(cnn2Cc2ccc(OC)cc2)c1
InChIInChI=1S/C19H20N2O3/c1-3-24-19(22)11-15-6-9-18-16(10-15)12-20-21(18)13-14-4-7-17(23-2)8-5-14/h4-10,12H,3,11,13H2,1-2H3
InChIKeyCNKZHTNQBQDLMQ-UHFFFAOYSA-N
XLogP3.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate?
The IUPAC name of ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate (CID 118693375) is ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate is CCOC(=O)Cc1ccc2c(cnn2Cc2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate?
The InChIKey is CNKZHTNQBQDLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-19(22)11-15-6-9-18-16(10-15)12-20-21(18)13-14-4-7-17(23-2)8-5-14/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate?
ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate has a molecular weight of 324.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]acetate is sourced from PubChem (CID 118693375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).