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

C21H23N5O4 — CID 135892173

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

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 135892173) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
• PubChem CID: 135892173
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.18
• IUPAC Name: N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
• SMILES: COc1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1
• InChI: InChI=1S/C21H23N5O4/c1-12-13(2)22-21(24-20(12)28)26-18(10-17(25-26)14-4-5-14)23-19(27)11-30-16-8-6-15(29-3)7-9-16/h6-10,14H,4-5,11H2,1-3H3,(H,23,27)(H,22,24,28)
• InChIKey: FGDXNTNBLIAECX-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-(4-methoxyphenoxy)acetamide?

The IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide (CID 135892173) is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide.

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

The canonical SMILES for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1.

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

The InChIKey is FGDXNTNBLIAECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-12-13(2)22-21(24-20(12)28)26-18(10-17(25-26)14-4-5-14)23-19(27)11-30-16-8-6-15(29-3)7-9-16/h6-10,14H,4-5,11H2,1-3H3,(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-(4-methoxyphenoxy)acetamide?

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 409.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 135892173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).