N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide

C16H19N5O — CID 2816486

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C16H19N5O/c1-3-20(4-2)12-15(22)19-16-13(10-17)11-18-21(16)14-8-6-5-7-9-14/h5-9,11H,3-4,12H2,1-2H3,(H,19,22)
InChIKeyVYLWBNVICNQQLS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.02
Rot. Bonds6

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide (PubChem CID 2816486) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide
PubChem CID2816486
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C16H19N5O/c1-3-20(4-2)12-15(22)19-16-13(10-17)11-18-21(16)14-8-6-5-7-9-14/h5-9,11H,3-4,12H2,1-2H3,(H,19,22)
InChIKeyVYLWBNVICNQQLS-UHFFFAOYSA-N
XLogP2.02
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide (CID 2816486) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide?
The InChIKey is VYLWBNVICNQQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-20(4-2)12-15(22)19-16-13(10-17)11-18-21(16)14-8-6-5-7-9-14/h5-9,11H,3-4,12H2,1-2H3,(H,19,22).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(diethylamino)acetamide is sourced from PubChem (CID 2816486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).