methyl 1-(2-methylpropyl)indazole-3-carboxylate

C13H16N2O2 — CID 10489745

IUPACmethyl 1-(2-methylpropyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(2)8-15-11-7-5-4-6-10(11)12(14-15)13(16)17-3/h4-7,9H,8H2,1-3H3
InChIKeyGKUIXLGJSUWCRB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.48
Rot. Bonds3

About methyl 1-(2-methylpropyl)indazole-3-carboxylate

methyl 1-(2-methylpropyl)indazole-3-carboxylate (PubChem CID 10489745) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 1-(2-methylpropyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpropyl)indazole-3-carboxylate
PubChem CID10489745
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 1-(2-methylpropyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(2)8-15-11-7-5-4-6-10(11)12(14-15)13(16)17-3/h4-7,9H,8H2,1-3H3
InChIKeyGKUIXLGJSUWCRB-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate
CID 144672684
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
methyl 1-(3-cyanopropyl)indazole-3-carboxylate
CID 68892890
1-[1-(2,2-difluoroethyl)indazol-3-yl]-2-methylpropan-1-one
CID 118442196
methyl 1-iodophosphanylindazole-3-carboxylate
CID 171497876
methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 154814868
3,3-dimethylbutyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 78850673
ethyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 90286417
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
(4-propanoylphenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 7688803
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55325179
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
CID 158510264

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpropyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-(2-methylpropyl)indazole-3-carboxylate (CID 10489745) is methyl 1-(2-methylpropyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpropyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylpropyl)indazole-3-carboxylate is COC(=O)c1nn(CC(C)C)c2ccccc12.
What is the InChIKey of methyl 1-(2-methylpropyl)indazole-3-carboxylate?
The InChIKey is GKUIXLGJSUWCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)8-15-11-7-5-4-6-10(11)12(14-15)13(16)17-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 1-(2-methylpropyl)indazole-3-carboxylate?
methyl 1-(2-methylpropyl)indazole-3-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpropyl)indazole-3-carboxylate is sourced from PubChem (CID 10489745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).