2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

C26H22N4O2 — CID 18227715

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (PubChem CID 18227715) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
• PubChem CID: 18227715
• Molecular Formula: C26H22N4O2
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.17
• IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(/C=C/c2ccccn2)c1
• InChI: InChI=1S/C26H22N4O2/c1-18-24(19(2)30(29-18)23-12-4-3-5-13-23)25(31)26(32)28-22-11-8-9-20(17-22)14-15-21-10-6-7-16-27-21/h3-17H,1-2H3,(H,28,32)/b15-14+
• InChIKey: SLPYTJMMQYFFJJ-CCEZHUSRSA-N
• XLogP: 4.88
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?

The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (CID 18227715) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.

What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?

The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(/C=C/c2ccccn2)c1.

What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?

The InChIKey is SLPYTJMMQYFFJJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-18-24(19(2)30(29-18)23-12-4-3-5-13-23)25(31)26(32)28-22-11-8-9-20(17-22)14-15-21-10-6-7-16-27-21/h3-17H,1-2H3,(H,28,32)/b15-14+.

What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is sourced from PubChem (CID 18227715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).