N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H16N4O — CID 110695411

IUPACN-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H16N4O/c1-10-13(11(2)19(3)18-10)8-15(20)17-14-7-5-4-6-12(14)9-16/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyJITAZKJBKJXUMW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.09
Rot. Bonds3

About N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 110695411) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID110695411
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H16N4O/c1-10-13(11(2)19(3)18-10)8-15(20)17-14-7-5-4-6-12(14)9-16/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyJITAZKJBKJXUMW-UHFFFAOYSA-N
XLogP2.09
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935
N-(1H-indazol-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24669396
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989578
N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686435
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75506187
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524355
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide
CID 19517544

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 110695411) is N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is JITAZKJBKJXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-13(11(2)19(3)18-10)8-15(20)17-14-7-5-4-6-12(14)9-16/h4-7H,8H2,1-3H3,(H,17,20).
What are the key properties of N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 110695411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).