methyl 1,4-dimethylindazole-7-carboxylate

C11H12N2O2 — CID 58524149

IUPACmethyl 1,4-dimethylindazole-7-carboxylate
SMILESCOC(=O)c1ccc(C)c2cnn(C)c12
InChIInChI=1S/C11H12N2O2/c1-7-4-5-8(11(14)15-3)10-9(7)6-12-13(10)2/h4-6H,1-3H3
InChIKeyKJOKNNGAHHCYFU-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds1

About methyl 1,4-dimethylindazole-7-carboxylate

methyl 1,4-dimethylindazole-7-carboxylate (PubChem CID 58524149) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 1,4-dimethylindazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethylindazole-7-carboxylate
PubChem CID58524149
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 1,4-dimethylindazole-7-carboxylate
SMILESCOC(=O)c1ccc(C)c2cnn(C)c12
InChIInChI=1S/C11H12N2O2/c1-7-4-5-8(11(14)15-3)10-9(7)6-12-13(10)2/h4-6H,1-3H3
InChIKeyKJOKNNGAHHCYFU-UHFFFAOYSA-N
XLogP1.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethylindazole-7-carboxylate?
The IUPAC name of methyl 1,4-dimethylindazole-7-carboxylate (CID 58524149) is methyl 1,4-dimethylindazole-7-carboxylate.
What is the SMILES notation for methyl 1,4-dimethylindazole-7-carboxylate?
The canonical SMILES for methyl 1,4-dimethylindazole-7-carboxylate is COC(=O)c1ccc(C)c2cnn(C)c12.
What is the InChIKey of methyl 1,4-dimethylindazole-7-carboxylate?
The InChIKey is KJOKNNGAHHCYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-5-8(11(14)15-3)10-9(7)6-12-13(10)2/h4-6H,1-3H3.
What are the key properties of methyl 1,4-dimethylindazole-7-carboxylate?
methyl 1,4-dimethylindazole-7-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethylindazole-7-carboxylate is sourced from PubChem (CID 58524149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).