N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide

C23H27N5O3 — CID 135892114

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

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 135892114) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide
• PubChem CID: 135892114
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide
• SMILES: CCOc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1
• InChI: InChI=1S/C23H27N5O3/c1-4-31-17-9-5-15(6-10-17)11-21(29)25-20-12-19(16-7-8-16)27-28(20)23-24-18(14(2)3)13-22(30)26-23/h5-6,9-10,12-14,16H,4,7-8,11H2,1-3H3,(H,25,29)(H,24,26,30)
• InChIKey: LHYXSIPHINKAPV-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide (CID 135892114) is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide.

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

The canonical SMILES for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1.

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

The InChIKey is LHYXSIPHINKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-4-31-17-9-5-15(6-10-17)11-21(29)25-20-12-19(16-7-8-16)27-28(20)23-24-18(14(2)3)13-22(30)26-23/h5-6,9-10,12-14,16H,4,7-8,11H2,1-3H3,(H,25,29)(H,24,26,30).

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

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 135892114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).