methyl 2-benzylindazole-4-carboxylate

C16H14N2O2 — CID 90133630

IUPACmethyl 2-benzylindazole-4-carboxylate
SMILESCOC(=O)c1cccc2nn(Cc3ccccc3)cc12
InChIInChI=1S/C16H14N2O2/c1-20-16(19)13-8-5-9-15-14(13)11-18(17-15)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyBWLLCIJEGJOSIN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.87
Rot. Bonds3

About methyl 2-benzylindazole-4-carboxylate

methyl 2-benzylindazole-4-carboxylate (PubChem CID 90133630) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-benzylindazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzylindazole-4-carboxylate
PubChem CID90133630
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-benzylindazole-4-carboxylate
SMILESCOC(=O)c1cccc2nn(Cc3ccccc3)cc12
InChIInChI=1S/C16H14N2O2/c1-20-16(19)13-8-5-9-15-14(13)11-18(17-15)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyBWLLCIJEGJOSIN-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzylindazole-4-carboxylate?
The IUPAC name of methyl 2-benzylindazole-4-carboxylate (CID 90133630) is methyl 2-benzylindazole-4-carboxylate.
What is the SMILES notation for methyl 2-benzylindazole-4-carboxylate?
The canonical SMILES for methyl 2-benzylindazole-4-carboxylate is COC(=O)c1cccc2nn(Cc3ccccc3)cc12.
What is the InChIKey of methyl 2-benzylindazole-4-carboxylate?
The InChIKey is BWLLCIJEGJOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(19)13-8-5-9-15-14(13)11-18(17-15)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3.
What are the key properties of methyl 2-benzylindazole-4-carboxylate?
methyl 2-benzylindazole-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzylindazole-4-carboxylate is sourced from PubChem (CID 90133630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).