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

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Related Compounds

2-[3-(3-Methoxyphenyl)-1-indazolyl]acetic acid methyl ester
CID 49835877
2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-6-yl)acetamide
CID 11775399
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
2-(4-Benzyloxy-phenyl)-N-[2-(2-pyrrolidin-1-yl-ethyl)-2H-indazol-6-yl]-acetamide
CID 11190261
6-Ethoxy-4-(4-methoxyphenyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one
CID 153629631
4-[3-Methyl-2-[(3-methylphenyl)methyl]indazol-6-yl]oxycyclohexane-1-carboxylic acid
CID 162654156
2-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid
CID 3646870
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
CID 17859014
Methyl 2-[3-(2-methoxyphenyl)indazol-1-yl]acetate
CID 49835850
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-indazol-1-yl)-5-oxopentanamide
CID 22510410
1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-carboxylic acid
CID 44138105
Ethyl 4-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451628

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).