2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

C13H12N4O2 — CID 47285823

IUPAC2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C13H12N4O2/c14-7-10-3-1-2-4-12(10)19-9-13(18)15-8-11-5-6-16-17-11/h1-6H,8-9H2,(H,15,18)(H,16,17)
InChIKeyWZQKLBJRALJLIH-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.98
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 47285823) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID47285823
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C13H12N4O2/c14-7-10-3-1-2-4-12(10)19-9-13(18)15-8-11-5-6-16-17-11/h1-6H,8-9H2,(H,15,18)(H,16,17)
InChIKeyWZQKLBJRALJLIH-UHFFFAOYSA-N
XLogP0.98
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979331
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161
2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103883525
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 60592154
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599
2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142639
2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide
CID 71985123
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248
2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
CID 60716733

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 47285823) is 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide is N#Cc1ccccc1OCC(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is WZQKLBJRALJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-7-10-3-1-2-4-12(10)19-9-13(18)15-8-11-5-6-16-17-11/h1-6H,8-9H2,(H,15,18)(H,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 47285823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).