3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C21H23N3O2 — CID 30341574

IUPAC3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-2-26-20-11-7-6-8-18(20)12-13-21(25)22-14-17-15-23-24(16-17)19-9-4-3-5-10-19/h3-11,15-16H,2,12-14H2,1H3,(H,22,25)
InChIKeyBARDJHWJXZROBZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.52
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 30341574) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID30341574
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-2-26-20-11-7-6-8-18(20)12-13-21(25)22-14-17-15-23-24(16-17)19-9-4-3-5-10-19/h3-11,15-16H,2,12-14H2,1H3,(H,22,25)
InChIKeyBARDJHWJXZROBZ-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720357
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 30341574) is 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is CCOc1ccccc1CCC(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is BARDJHWJXZROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-26-20-11-7-6-8-18(20)12-13-21(25)22-14-17-15-23-24(16-17)19-9-4-3-5-10-19/h3-11,15-16H,2,12-14H2,1H3,(H,22,25).
What are the key properties of 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 30341574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).