2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C20H21N3O2 — CID 26078765

IUPAC2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-19-10-8-16(9-11-19)12-20(24)21-13-17-14-22-23(15-17)18-6-4-3-5-7-18/h3-11,14-15H,2,12-13H2,1H3,(H,21,24)
InChIKeyIBMJDDJGEJNINF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.13
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 26078765) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID26078765
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-19-10-8-16(9-11-19)12-20(24)21-13-17-14-22-23(15-17)18-6-4-3-5-7-18/h3-11,14-15H,2,12-13H2,1H3,(H,21,24)
InChIKeyIBMJDDJGEJNINF-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134035531
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 25496915
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36631288
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848803
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
methyl 2-methoxy-5-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 51329846
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 26078765) is 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CCOc1ccc(CC(=O)NCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is IBMJDDJGEJNINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-25-19-10-8-16(9-11-19)12-20(24)21-13-17-14-22-23(15-17)18-6-4-3-5-7-18/h3-11,14-15H,2,12-13H2,1H3,(H,21,24).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 26078765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).