ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate

C19H18N2O4 — CID 71819252

IUPACethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(OC)cc12
InChIInChI=1S/C19H18N2O4/c1-4-25-19(23)17-15-11-14(24-3)8-9-16(15)21(20-17)18(22)13-7-5-6-12(2)10-13/h5-11H,4H2,1-3H3
InChIKeyWLOOAPOLAXNHAM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.22
Rot. Bonds4

About ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate

ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate (PubChem CID 71819252) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
PubChem CID71819252
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(OC)cc12
InChIInChI=1S/C19H18N2O4/c1-4-25-19(23)17-15-11-14(24-3)8-9-16(15)21(20-17)18(22)13-7-5-6-12(2)10-13/h5-11H,4H2,1-3H3
InChIKeyWLOOAPOLAXNHAM-UHFFFAOYSA-N
XLogP3.22
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819249
ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818543
ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818834
ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818963
5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
CID 71670304
ethyl 3-(3-methoxyphenyl)-5-[(3-methylbenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16819094
N-methyl-1-(3-methylbenzoyl)indazole-3-carboxamide
CID 175254952
methyl 1-benzoyl-5-bromoindazole-3-carboxylate
CID 71819101
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
CID 162671475
ethyl 5-methoxy-2-methyl-1-methylsulfonylindole-3-carboxylate
CID 23589053
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63950822
(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
CID 110462429

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate (CID 71819252) is ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate is CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate?
The InChIKey is WLOOAPOLAXNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-4-25-19(23)17-15-11-14(24-3)8-9-16(15)21(20-17)18(22)13-7-5-6-12(2)10-13/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate?
ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 71819252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).