methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate

C17H24N2O2 — CID 19084962

IUPACmethyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
SMILESCCC(CC)CCc1nn(C)c2cc(C(=O)OC)ccc12
InChIInChI=1S/C17H24N2O2/c1-5-12(6-2)7-10-15-14-9-8-13(17(20)21-4)11-16(14)19(3)18-15/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyNDVHJXZPHLIDQR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.73
Rot. Bonds6

About methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate

methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate (PubChem CID 19084962) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
PubChem CID19084962
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namemethyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
SMILESCCC(CC)CCc1nn(C)c2cc(C(=O)OC)ccc12
InChIInChI=1S/C17H24N2O2/c1-5-12(6-2)7-10-15-14-9-8-13(17(20)21-4)11-16(14)19(3)18-15/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyNDVHJXZPHLIDQR-UHFFFAOYSA-N
XLogP3.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate
CID 171772859
methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
CID 156503325
methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
CID 142606640
methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
CID 175951142
methyl 1-propan-2-yl-3-(pyrazol-1-ylmethyl)indazole-6-carboxylate
CID 90133396
methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166836
ethane;methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166835
3-(1,6-dimethylindazol-3-yl)propanoic acid
CID 83910195
methyl 3-cyclopentyl-1-methylindazole-5-carboxylate
CID 171772847
methyl 3-amino-4-[ethyl(2-ethylbutyl)amino]benzoate
CID 61437988
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
CID 84786637

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate?
The IUPAC name of methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate (CID 19084962) is methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate.
What is the SMILES notation for methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate?
The canonical SMILES for methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate is CCC(CC)CCc1nn(C)c2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate?
The InChIKey is NDVHJXZPHLIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-12(6-2)7-10-15-14-9-8-13(17(20)21-4)11-16(14)19(3)18-15/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate?
methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate is sourced from PubChem (CID 19084962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).