ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate

C18H16N2O4 — CID 56673430

IUPACethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-3-24-18(22)16-14-9-4-5-10-15(14)20(19-16)17(21)12-7-6-8-13(11-12)23-2/h4-11H,3H2,1-2H3
InChIKeyVXWPSSSJFRCHBI-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.91
Rot. Bonds4

About ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate

ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate (PubChem CID 56673430) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
PubChem CID56673430
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-3-24-18(22)16-14-9-4-5-10-15(14)20(19-16)17(21)12-7-6-8-13(11-12)23-2/h4-11H,3H2,1-2H3
InChIKeyVXWPSSSJFRCHBI-UHFFFAOYSA-N
XLogP2.91
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
ethyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 1251498
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
CID 17859014
Ethyl 1-benzoylindazole-3-carboxylate
CID 12689316
Ethyl 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylpyrazole-5-carboxylate
CID 42601288
Ethyl 4-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451628
Ethyl 4-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451651
Ethyl 4-[1-[(2-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451655
Ethyl 4-[1-(furan-2-yl)indazol-3-yl]benzoate
CID 44451897
Methyl 1-benzoylindazole-3-carboxylate
CID 53357861
Methyl 1-(3-methylbenzoyl)indazole-3-carboxylate
CID 53357862

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The IUPAC name of ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate (CID 56673430) is ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate is CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccccc12.
What is the InChIKey of ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The InChIKey is VXWPSSSJFRCHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-24-18(22)16-14-9-4-5-10-15(14)20(19-16)17(21)12-7-6-8-13(11-12)23-2/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 56673430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).