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

C19H19N3O3 — CID 71818543

IUPACethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC)cc12
InChIInChI=1S/C19H19N3O3/c1-4-25-19(24)17-15-11-14(20-3)8-9-16(15)22(21-17)18(23)13-7-5-6-12(2)10-13/h5-11,20H,4H2,1-3H3
InChIKeyXPUCAZZWODWLCL-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.25
Rot. Bonds4

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

ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate (PubChem CID 71818543) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
PubChem CID71818543
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC)cc12
InChIInChI=1S/C19H19N3O3/c1-4-25-19(24)17-15-11-14(20-3)8-9-16(15)22(21-17)18(23)13-7-5-6-12(2)10-13/h5-11,20H,4H2,1-3H3
InChIKeyXPUCAZZWODWLCL-UHFFFAOYSA-N
XLogP3.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818834
ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819249
ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819252
ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818963
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
(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
CID 110462429
diethyl 5-(methylamino)benzene-1,3-dicarboxylate
CID 101449112
methylaminomethyl 3-methylbenzoate
CID 143511413
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
The IUPAC name of ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate (CID 71818543) is ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate is CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC)cc12.
What is the InChIKey of ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
The InChIKey is XPUCAZZWODWLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-25-19(24)17-15-11-14(20-3)8-9-16(15)22(21-17)18(23)13-7-5-6-12(2)10-13/h5-11,20H,4H2,1-3H3.
What are the key properties of ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate?
ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 71818543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).