2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C14H14N4O2 — CID 103856270

IUPAC2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(C#N)cc1)c1cn[nH]c1
InChIInChI=1S/C14H14N4O2/c1-10(12-7-16-17-8-12)18-14(19)9-20-13-4-2-11(6-15)3-5-13/h2-5,7-8,10H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyFPQRZLYLWRVCRV-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856270) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856270
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(C#N)cc1)c1cn[nH]c1
InChIInChI=1S/C14H14N4O2/c1-10(12-7-16-17-8-12)18-14(19)9-20-13-4-2-11(6-15)3-5-13/h2-5,7-8,10H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyFPQRZLYLWRVCRV-UHFFFAOYSA-N
XLogP1.54
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-(4-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725950
2-(4-carbamothioylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106217451
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247133
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856270) is 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(C#N)cc1)c1cn[nH]c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is FPQRZLYLWRVCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10(12-7-16-17-8-12)18-14(19)9-20-13-4-2-11(6-15)3-5-13/h2-5,7-8,10H,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).