2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide

C20H21N3O2 — CID 95744497

IUPAC2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cnn(CCc3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-16-7-9-19(10-8-16)25-15-20(24)22-18-13-21-23(14-18)12-11-17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,22,24)
InChIKeyRAJDDBBEIBVGNM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.45
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide

2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide (PubChem CID 95744497) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
PubChem CID95744497
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cnn(CCc3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-16-7-9-19(10-8-16)25-15-20(24)22-18-13-21-23(14-18)12-11-17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,22,24)
InChIKeyRAJDDBBEIBVGNM-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 60552750
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397606
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide (CID 95744497) is 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide is Cc1ccc(OCC(=O)Nc2cnn(CCc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
The InChIKey is RAJDDBBEIBVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-16-7-9-19(10-8-16)25-15-20(24)22-18-13-21-23(14-18)12-11-17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,22,24).
What are the key properties of 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide?
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 95744497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).