4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C20H21N3O2 — CID 25403941

IUPAC4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-19-10-8-18(9-11-19)20(24)21-14-16-4-6-17(7-5-16)15-23-13-3-12-22-23/h3-13H,2,14-15H2,1H3,(H,21,24)
InChIKeyUIOSDVDFGBKJKY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.26
Rot. Bonds7

About 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 25403941) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID25403941
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-19-10-8-18(9-11-19)20(24)21-14-16-4-6-17(7-5-16)15-23-13-3-12-22-23/h3-13H,2,14-15H2,1H3,(H,21,24)
InChIKeyUIOSDVDFGBKJKY-UHFFFAOYSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 48656563
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-[(4-ethoxyphenyl)methyl]-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 50757189
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 16572122
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 25403941) is 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is UIOSDVDFGBKJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-25-19-10-8-18(9-11-19)20(24)21-14-16-4-6-17(7-5-16)15-23-13-3-12-22-23/h3-13H,2,14-15H2,1H3,(H,21,24).
What are the key properties of 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25403941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).