2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C13H12N4O — CID 2356870

IUPAC2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC#N)n(-c2ccccc2)n1
InChIInChI=1S/C13H12N4O/c1-10-9-12(15-13(18)7-8-14)17(16-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3,(H,15,18)
InChIKeyPPKHCCIWEGJDSZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.03
Rot. Bonds3

About 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 2356870) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID2356870
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC#N)n(-c2ccccc2)n1
InChIInChI=1S/C13H12N4O/c1-10-9-12(15-13(18)7-8-14)17(16-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3,(H,15,18)
InChIKeyPPKHCCIWEGJDSZ-UHFFFAOYSA-N
XLogP2.03
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)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 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 2356870) is 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CC#N)n(-c2ccccc2)n1.
What is the InChIKey of 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is PPKHCCIWEGJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10-9-12(15-13(18)7-8-14)17(16-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3,(H,15,18).
What are the key properties of 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 240.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 2356870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).