3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

C22H25N3O2 — CID 32707909

IUPAC3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-27-21-7-4-3-6-19(21)10-13-22(26)23-16-14-18-8-11-20(12-9-18)25-17-5-15-24-25/h3-9,11-12,15,17H,2,10,13-14,16H2,1H3,(H,23,26)
InChIKeyDWXPLXUHBUAFML-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.56
Rot. Bonds9

About 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 32707909) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID32707909
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-27-21-7-4-3-6-19(21)10-13-22(26)23-16-14-18-8-11-20(12-9-18)25-17-5-15-24-25/h3-9,11-12,15,17H,2,10,13-14,16H2,1H3,(H,23,26)
InChIKeyDWXPLXUHBUAFML-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111339674
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
2-[[ethylamino-[2-(4-pyrazol-1-ylphenyl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111863846
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
3-(furan-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102772

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (CID 32707909) is 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is CCOc1ccccc1CCC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is DWXPLXUHBUAFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-27-21-7-4-3-6-19(21)10-13-22(26)23-16-14-18-8-11-20(12-9-18)25-17-5-15-24-25/h3-9,11-12,15,17H,2,10,13-14,16H2,1H3,(H,23,26).
What are the key properties of 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 32707909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).