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

C18H15ClN2O3 — CID 71819249

IUPACethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2O3/c1-3-24-18(23)16-14-10-13(19)7-8-15(14)21(20-16)17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3
InChIKeyIDUCREKTCPXWSV-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.86
Rot. Bonds3

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

ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate (PubChem CID 71819249) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
PubChem CID71819249
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Nameethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2O3/c1-3-24-18(23)16-14-10-13(19)7-8-15(14)21(20-16)17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3
InChIKeyIDUCREKTCPXWSV-UHFFFAOYSA-N
XLogP3.86
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819252
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
N-methyl-1-(3-methylbenzoyl)indazole-3-carboxamide
CID 175254952
ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate
CID 44561388
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
CID 162671475
(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
CID 110462429
ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate
CID 67032003
2-O-ethyl 3-O,4-O-dimethyl 6-chloroquinoline-2,3,4-tricarboxylate
CID 175839790
ethyl 3-acetamido-6-chloro-2-(3-methylbenzoyl)indole-1-carboxylate
CID 18367755
ethyl 3-(3-chloroanilino)benzoate
CID 82535753

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate?
The IUPAC name of ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate (CID 71819249) is ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate is CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(Cl)cc12.
What is the InChIKey of ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate?
The InChIKey is IDUCREKTCPXWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-3-24-18(23)16-14-10-13(19)7-8-15(14)21(20-16)17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate?
ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate has a molecular weight of 342.78 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate is sourced from PubChem (CID 71819249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).