methyl 4-(indazol-1-ylmethyl)benzoate

C16H14N2O2 — CID 62140735

IUPACmethyl 4-(indazol-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)13-8-6-12(7-9-13)11-18-15-5-3-2-4-14(15)10-17-18/h2-10H,11H2,1H3
InChIKeyTWQZQWYUYBPXTI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.87
Rot. Bonds3

About methyl 4-(indazol-1-ylmethyl)benzoate

methyl 4-(indazol-1-ylmethyl)benzoate (PubChem CID 62140735) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-(indazol-1-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(indazol-1-ylmethyl)benzoate
PubChem CID62140735
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 4-(indazol-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)13-8-6-12(7-9-13)11-18-15-5-3-2-4-14(15)10-17-18/h2-10H,11H2,1H3
InChIKeyTWQZQWYUYBPXTI-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-1-ylmethyl)benzoate?
The IUPAC name of methyl 4-(indazol-1-ylmethyl)benzoate (CID 62140735) is methyl 4-(indazol-1-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(indazol-1-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(indazol-1-ylmethyl)benzoate is COC(=O)c1ccc(Cn2ncc3ccccc32)cc1.
What is the InChIKey of methyl 4-(indazol-1-ylmethyl)benzoate?
The InChIKey is TWQZQWYUYBPXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(19)13-8-6-12(7-9-13)11-18-15-5-3-2-4-14(15)10-17-18/h2-10H,11H2,1H3.
What are the key properties of methyl 4-(indazol-1-ylmethyl)benzoate?
methyl 4-(indazol-1-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-1-ylmethyl)benzoate is sourced from PubChem (CID 62140735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).