2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide

C16H18N4O — CID 62878662

IUPAC2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide
SMILESCc1[nH]ncc1CCCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-12-14(11-19-20-12)8-5-9-18-16(21)15(10-17)13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyGSVAIZSPQZKUSH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.07
Rot. Bonds6

About 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide

2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide (PubChem CID 62878662) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide
PubChem CID62878662
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide
SMILESCc1[nH]ncc1CCCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-12-14(11-19-20-12)8-5-9-18-16(21)15(10-17)13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyGSVAIZSPQZKUSH-UHFFFAOYSA-N
XLogP2.07
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040285
2-cyano-2-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040091
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-phenylpropan-1-amine
CID 62040882
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62038992
2-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzonitrile
CID 103851222

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide?
The IUPAC name of 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide (CID 62878662) is 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide is Cc1[nH]ncc1CCCNC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide?
The InChIKey is GSVAIZSPQZKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-14(11-19-20-12)8-5-9-18-16(21)15(10-17)13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide?
2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide has a molecular weight of 282.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 62878662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).