ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate

C12H14N2O3 — CID 170744696

IUPACethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate
SMILESCCOC(=O)c1cc(C)c(OC)c2cn[nH]c12
InChIInChI=1S/C12H14N2O3/c1-4-17-12(15)8-5-7(2)11(16-3)9-6-13-14-10(8)9/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyWPNRSUSVSQBZFR-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.06
Rot. Bonds3

About ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate

ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate (PubChem CID 170744696) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate
PubChem CID170744696
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate
SMILESCCOC(=O)c1cc(C)c(OC)c2cn[nH]c12
InChIInChI=1S/C12H14N2O3/c1-4-17-12(15)8-5-7(2)11(16-3)9-6-13-14-10(8)9/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyWPNRSUSVSQBZFR-UHFFFAOYSA-N
XLogP2.06
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
ethyl 4-methoxy-5-methylpyridine-3-carboxylate
CID 133096766
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 3426999
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
CID 86692037
5-bromo-4-methoxy-7-methyl-1H-indazole
CID 167501479
ethyl 3-formyl-4-methoxy-5,7-dimethyl-1H-indole-2-carboxylate
CID 4023028
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-(4-iodophenyl)-1H-pyrazole-4-carboxylate
CID 22831672
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
methyl 4-bromo-5-fluoro-1H-indazole-7-carboxylate
CID 167501849

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate?
The IUPAC name of ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate (CID 170744696) is ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate?
The canonical SMILES for ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate is CCOC(=O)c1cc(C)c(OC)c2cn[nH]c12.
What is the InChIKey of ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate?
The InChIKey is WPNRSUSVSQBZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-17-12(15)8-5-7(2)11(16-3)9-6-13-14-10(8)9/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate?
ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate is sourced from PubChem (CID 170744696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).