methyl 4-(indazol-2-ylmethyl)benzoate

C16H14N2O2 — CID 168655027

IUPACmethyl 4-(indazol-2-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)13-8-6-12(7-9-13)10-18-11-14-4-2-3-5-15(14)17-18/h2-9,11H,10H2,1H3
InChIKeyQQOVPZDWIDWQOI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.87
Rot. Bonds3

About methyl 4-(indazol-2-ylmethyl)benzoate

methyl 4-(indazol-2-ylmethyl)benzoate (PubChem CID 168655027) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-(indazol-2-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(indazol-2-ylmethyl)benzoate
PubChem CID168655027
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 4-(indazol-2-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)13-8-6-12(7-9-13)10-18-11-14-4-2-3-5-15(14)17-18/h2-9,11H,10H2,1H3
InChIKeyQQOVPZDWIDWQOI-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 4-(indazol-2-ylmethyl)benzoate?
The IUPAC name of methyl 4-(indazol-2-ylmethyl)benzoate (CID 168655027) is methyl 4-(indazol-2-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(indazol-2-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(indazol-2-ylmethyl)benzoate is COC(=O)c1ccc(Cn2cc3ccccc3n2)cc1.
What is the InChIKey of methyl 4-(indazol-2-ylmethyl)benzoate?
The InChIKey is QQOVPZDWIDWQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(19)13-8-6-12(7-9-13)10-18-11-14-4-2-3-5-15(14)17-18/h2-9,11H,10H2,1H3.
What are the key properties of methyl 4-(indazol-2-ylmethyl)benzoate?
methyl 4-(indazol-2-ylmethyl)benzoate 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 4-(indazol-2-ylmethyl)benzoate is sourced from PubChem (CID 168655027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).