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

C14H14N4O — CID 106213471

IUPAC2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(C#N)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H14N4O/c1-10(12-8-16-17-9-12)18-14(19)13(7-15)11-5-3-2-4-6-11/h2-6,8-10,13H,1H3,(H,16,17)(H,18,19)
InChIKeyBYVKZSDKWRNTOS-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.89
Rot. Bonds4

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

2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 106213471) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID106213471
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(C#N)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H14N4O/c1-10(12-8-16-17-9-12)18-14(19)13(7-15)11-5-3-2-4-6-11/h2-6,8-10,13H,1H3,(H,16,17)(H,18,19)
InChIKeyBYVKZSDKWRNTOS-UHFFFAOYSA-N
XLogP1.89
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106213470
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide
CID 55129156
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 101483881
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 106212701
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 106213471) is 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)C(C#N)c1ccccc1)c1cn[nH]c1.
What is the InChIKey of 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is BYVKZSDKWRNTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10(12-8-16-17-9-12)18-14(19)13(7-15)11-5-3-2-4-6-11/h2-6,8-10,13H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 106213471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).