N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide

C21H23N5O3 — CID 135892174

About N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 135892174) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide
• PubChem CID: 135892174
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide
• SMILES: Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)c(C)c(=O)[nH]1
• InChI: InChI=1S/C21H23N5O3/c1-12-6-4-5-7-17(12)29-11-19(27)23-18-10-16(15-8-9-15)25-26(18)21-22-14(3)13(2)20(28)24-21/h4-7,10,15H,8-9,11H2,1-3H3,(H,23,27)(H,22,24,28)
• InChIKey: WKJWONDBNZYVET-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide?

The IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide (CID 135892174) is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide?

The canonical SMILES for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)c(C)c(=O)[nH]1.

What is the InChIKey of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide?

The InChIKey is WKJWONDBNZYVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-6-4-5-7-17(12)29-11-19(27)23-18-10-16(15-8-9-15)25-26(18)21-22-14(3)13(2)20(28)24-21/h4-7,10,15H,8-9,11H2,1-3H3,(H,23,27)(H,22,24,28).

What are the key properties of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide?

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 135892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).