3-(5-ethoxy-1H-indazol-3-yl)benzamide

C16H15N3O2 — CID 71682140

IUPAC3-(5-ethoxy-1H-indazol-3-yl)benzamide
SMILESCCOc1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C16H15N3O2/c1-2-21-12-6-7-14-13(9-12)15(19-18-14)10-4-3-5-11(8-10)16(17)20/h3-9H,2H2,1H3,(H2,17,20)(H,18,19)
InChIKeyGGWPAZYQWVWDSD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.73
Rot. Bonds4

About 3-(5-ethoxy-1H-indazol-3-yl)benzamide

3-(5-ethoxy-1H-indazol-3-yl)benzamide (PubChem CID 71682140) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(5-ethoxy-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(5-ethoxy-1H-indazol-3-yl)benzamide
PubChem CID71682140
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(5-ethoxy-1H-indazol-3-yl)benzamide
SMILESCCOc1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C16H15N3O2/c1-2-21-12-6-7-14-13(9-12)15(19-18-14)10-4-3-5-11(8-10)16(17)20/h3-9H,2H2,1H3,(H2,17,20)(H,18,19)
InChIKeyGGWPAZYQWVWDSD-UHFFFAOYSA-N
XLogP2.73
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1H-indazol-3-yl)benzamide?
The IUPAC name of 3-(5-ethoxy-1H-indazol-3-yl)benzamide (CID 71682140) is 3-(5-ethoxy-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 3-(5-ethoxy-1H-indazol-3-yl)benzamide?
The canonical SMILES for 3-(5-ethoxy-1H-indazol-3-yl)benzamide is CCOc1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1.
What is the InChIKey of 3-(5-ethoxy-1H-indazol-3-yl)benzamide?
The InChIKey is GGWPAZYQWVWDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-12-6-7-14-13(9-12)15(19-18-14)10-4-3-5-11(8-10)16(17)20/h3-9H,2H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 3-(5-ethoxy-1H-indazol-3-yl)benzamide?
3-(5-ethoxy-1H-indazol-3-yl)benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 71682140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).