2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C16H18N4O3 — CID 18083217

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H18N4O3/c1-11(2)20-15(6-7-18-20)19-16(21)10-23-13-5-4-12(9-17)8-14(13)22-3/h4-8,11H,10H2,1-3H3,(H,19,21)
InChIKeyYOJXXKRSLXIFSO-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 18083217) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID18083217
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H18N4O3/c1-11(2)20-15(6-7-18-20)19-16(21)10-23-13-5-4-12(9-17)8-14(13)22-3/h4-8,11H,10H2,1-3H3,(H,19,21)
InChIKeyYOJXXKRSLXIFSO-UHFFFAOYSA-N
XLogP2.36
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyano-2-methoxyphenoxy)-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-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063488
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 16503175
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 18083217) is 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is YOJXXKRSLXIFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11(2)20-15(6-7-18-20)19-16(21)10-23-13-5-4-12(9-17)8-14(13)22-3/h4-8,11H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 314.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 18083217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).