N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

C16H20N4O2 — CID 125159205

About N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (PubChem CID 125159205) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
• PubChem CID: 125159205
• Molecular Formula: C16H20N4O2
• Molecular Weight: 300.36 g/mol
• Exact Mass: 300.16
• IUPAC Name: N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
• SMILES: Cc1cccc([C@@H](NC(=O)Cc2c(C)[nH][nH]c2=O)C2CC2)n1
• InChI: InChI=1S/C16H20N4O2/c1-9-4-3-5-13(17-9)15(11-6-7-11)18-14(21)8-12-10(2)19-20-16(12)22/h3-5,11,15H,6-8H2,1-2H3,(H,18,21)(H2,19,20,22)/t15-/m0/s1
• InChIKey: YVEUVTRVPQLEBF-HNNXBMFYSA-N
• XLogP: 1.52
• TPSA: 90.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.36
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?

The IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (CID 125159205) is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

What is the SMILES notation for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?

The canonical SMILES for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is Cc1cccc([C@@H](NC(=O)Cc2c(C)[nH][nH]c2=O)C2CC2)n1.

What is the InChIKey of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?

The InChIKey is YVEUVTRVPQLEBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-4-3-5-13(17-9)15(11-6-7-11)18-14(21)8-12-10(2)19-20-16(12)22/h3-5,11,15H,6-8H2,1-2H3,(H,18,21)(H2,19,20,22)/t15-/m0/s1.

What are the key properties of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?

N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 125159205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).