methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate

C14H16N2O4 — CID 59145936

IUPACmethyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate
SMILESCOC(=O)CCc1ccc2nn(C)cc2c1C(=O)OC
InChIInChI=1S/C14H16N2O4/c1-16-8-10-11(15-16)6-4-9(5-7-12(17)19-2)13(10)14(18)20-3/h4,6,8H,5,7H2,1-3H3
InChIKeyHHMBAZQMBZSRKJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.47
Rot. Bonds4

About methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate

methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate (PubChem CID 59145936) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate
PubChem CID59145936
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate
SMILESCOC(=O)CCc1ccc2nn(C)cc2c1C(=O)OC
InChIInChI=1S/C14H16N2O4/c1-16-8-10-11(15-16)6-4-9(5-7-12(17)19-2)13(10)14(18)20-3/h4,6,8H,5,7H2,1-3H3
InChIKeyHHMBAZQMBZSRKJ-UHFFFAOYSA-N
XLogP1.47
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,3-dichloro-6-(3-methoxy-3-oxopropyl)benzoate
CID 70566901
methyl 2-bromo-4-methoxy-3-methoxycarbonyloxy-6-(3-methoxy-3-oxopropyl)benzoate
CID 71578787
methyl 2-(difluoromethoxy)-6-(3-methoxy-3-oxopropyl)benzoate
CID 134649355
methyl 2-(3-methoxy-3-oxopropyl)-5-methylbenzoate
CID 134614148
methyl 3-(6-iodo-2-methylquinolin-4-yl)propanoate
CID 82578245
methyl 2-chloro-3-(3-methoxy-3-oxopropyl)benzoate
CID 134648997
methyl 4-amino-2-(3-methoxy-3-oxopropyl)benzoate
CID 134648398
methyl 6-fluoro-2-methylindazole-4-carboxylate
CID 121232242
methyl 4-fluoro-2-methylindazole-6-carboxylate
CID 121231598
methyl 3-(3-ethyl-4-pyridinyl)propanoate
CID 174235269
4-[[4-(3-methoxy-3-oxopropyl)anilino]methyl]-1-methylpyrazole-3-carboxylic acid
CID 167914498
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
The IUPAC name of methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate (CID 59145936) is methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate is COC(=O)CCc1ccc2nn(C)cc2c1C(=O)OC.
What is the InChIKey of methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
The InChIKey is HHMBAZQMBZSRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16-8-10-11(15-16)6-4-9(5-7-12(17)19-2)13(10)14(18)20-3/h4,6,8H,5,7H2,1-3H3.
What are the key properties of methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate is sourced from PubChem (CID 59145936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).