2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C14H17N3O2 — CID 19292673

IUPAC2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccnn1C
InChIInChI=1S/C14H17N3O2/c1-3-19-13-7-5-4-6-12(13)14(18)15-10-11-8-9-16-17(11)2/h4-9H,3,10H2,1-2H3,(H,15,18)
InChIKeyZYGWGLPQIZMGJZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds5

About 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19292673) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19292673
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccnn1C
InChIInChI=1S/C14H17N3O2/c1-3-19-13-7-5-4-6-12(13)14(18)15-10-11-8-9-16-17(11)2/h4-9H,3,10H2,1-2H3,(H,15,18)
InChIKeyZYGWGLPQIZMGJZ-UHFFFAOYSA-N
XLogP1.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 19292673) is 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is CCOc1ccccc1C(=O)NCc1ccnn1C.
What is the InChIKey of 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is ZYGWGLPQIZMGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-13-7-5-4-6-12(13)14(18)15-10-11-8-9-16-17(11)2/h4-9H,3,10H2,1-2H3,(H,15,18).
What are the key properties of 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19292673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).