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

C17H14N2O4 — CID 56673529

IUPACmethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccccc12
InChIInChI=1S/C17H14N2O4/c1-22-12-7-5-6-11(10-12)16(20)19-14-9-4-3-8-13(14)15(18-19)17(21)23-2/h3-10H,1-2H3
InChIKeyHJRAEBNKNHLKBC-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.52
Rot. Bonds3

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

methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate (PubChem CID 56673529) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
PubChem CID56673529
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccccc12
InChIInChI=1S/C17H14N2O4/c1-22-12-7-5-6-11(10-12)16(20)19-14-9-4-3-8-13(14)15(18-19)17(21)23-2/h3-10H,1-2H3
InChIKeyHJRAEBNKNHLKBC-UHFFFAOYSA-N
XLogP2.52
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.52
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
2-[3-(3-Methoxyphenyl)-1-indazolyl]acetic acid methyl ester
CID 49835877
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
CID 17859014
N,2-diethyl-3-methoxy-N-(4-methoxyphenyl)indazole-6-carboxamide
CID 11958438
Ethyl 1-benzoylindazole-3-carboxylate
CID 12689316
Ethyl 4-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451651
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
Propan-2-yl 1-benzoylindazole-3-carboxylate
CID 53357863
2,2,2-Trifluoroethyl 1-benzoylindazole-3-carboxylate
CID 53357864
Ethyl 1-butanoylindazole-3-carboxylate
CID 53357865

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate (CID 56673529) is methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate is COC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccccc12.
What is the InChIKey of methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
The InChIKey is HJRAEBNKNHLKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-12-7-5-6-11(10-12)16(20)19-14-9-4-3-8-13(14)15(18-19)17(21)23-2/h3-10H,1-2H3.
What are the key properties of methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate?
methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxybenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 56673529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).