2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C21H20N4O2 — CID 39063488

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(2)25-20(11-12-23-25)24-21(26)14-27-19-9-7-18(8-10-19)17-5-3-16(13-22)4-6-17/h3-12,15H,14H2,1-2H3,(H,24,26)
InChIKeyLDOAJTIBCGJBHA-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 39063488) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID39063488
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(2)25-20(11-12-23-25)24-21(26)14-27-19-9-7-18(8-10-19)17-5-3-16(13-22)4-6-17/h3-12,15H,14H2,1-2H3,(H,24,26)
InChIKeyLDOAJTIBCGJBHA-UHFFFAOYSA-N
XLogP4.02
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-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-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083217
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181893
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 39063488) is 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is LDOAJTIBCGJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(2)25-20(11-12-23-25)24-21(26)14-27-19-9-7-18(8-10-19)17-5-3-16(13-22)4-6-17/h3-12,15H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 39063488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).