2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

C15H19N3O2 — CID 19290746

IUPAC2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1cnn(CC)c1
InChIInChI=1S/C15H19N3O2/c1-3-18-11-12(10-17-18)9-16-15(19)13-7-5-6-8-14(13)20-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyLKZSGHCKFNOKRZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds6

About 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290746) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
PubChem CID19290746
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1cnn(CC)c1
InChIInChI=1S/C15H19N3O2/c1-3-18-11-12(10-17-18)9-16-15(19)13-7-5-6-8-14(13)20-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyLKZSGHCKFNOKRZ-UHFFFAOYSA-N
XLogP2.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340226
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19333065
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
CID 19322972
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4739481
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
3-[(2-bromophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290622
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (CID 19290746) is 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is CCOc1ccccc1C(=O)NCc1cnn(CC)c1.
What is the InChIKey of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is LKZSGHCKFNOKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-11-12(10-17-18)9-16-15(19)13-7-5-6-8-14(13)20-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).