methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate

C17H16N2O3 — CID 58244225

IUPACmethyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-21-15-6-3-12(4-7-15)11-19-16-8-5-13(17(20)22-2)9-14(16)10-18-19/h3-10H,11H2,1-2H3
InChIKeyNZYSOIHJJXFXFQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.88
Rot. Bonds4

About methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate

methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate (PubChem CID 58244225) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
PubChem CID58244225
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-21-15-6-3-12(4-7-15)11-19-16-8-5-13(17(20)22-2)9-14(16)10-18-19/h3-10H,11H2,1-2H3
InChIKeyNZYSOIHJJXFXFQ-UHFFFAOYSA-N
XLogP2.88
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690423
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
methyl 1-chloroindazole-5-carboxylate
CID 175375288
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate
CID 169187998
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
CID 66716346
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
CID 159506500
methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690440
5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810220
N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine
CID 135242208

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate (CID 58244225) is methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate is COC(=O)c1ccc2c(cnn2Cc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate?
The InChIKey is NZYSOIHJJXFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-15-6-3-12(4-7-15)11-19-16-8-5-13(17(20)22-2)9-14(16)10-18-19/h3-10H,11H2,1-2H3.
What are the key properties of methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate?
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate is sourced from PubChem (CID 58244225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).