2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide

C16H18N4O — CID 107463211

IUPAC2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
SMILESCCc1nn(C)cc1NC(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H18N4O/c1-3-14-15(11-20(2)19-14)18-16(21)13(10-17)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9H2,1-2H3,(H,18,21)
InChIKeyOGPCPJJZQRNZMQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.30
Rot. Bonds5

About 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide

2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide (PubChem CID 107463211) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
PubChem CID107463211
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
SMILESCCc1nn(C)cc1NC(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H18N4O/c1-3-14-15(11-20(2)19-14)18-16(21)13(10-17)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9H2,1-2H3,(H,18,21)
InChIKeyOGPCPJJZQRNZMQ-UHFFFAOYSA-N
XLogP2.30
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 82873118
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylsulfonylbutanamide
CID 103951288
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide (CID 107463211) is 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide is CCc1nn(C)cc1NC(=O)C(C#N)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
The InChIKey is OGPCPJJZQRNZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-14-15(11-20(2)19-14)18-16(21)13(10-17)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9H2,1-2H3,(H,18,21).
What are the key properties of 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide?
2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide has a molecular weight of 282.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 107463211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).