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

C23H27N5O3 — CID 135892127

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

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 135892127) 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]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide
• PubChem CID: 135892127
• 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]-3-(4-methoxyphenyl)propanamide
• SMILES: COc1ccc(CCC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1
• InChI: InChI=1S/C23H27N5O3/c1-14(2)18-13-22(30)26-23(24-18)28-20(12-19(27-28)16-7-8-16)25-21(29)11-6-15-4-9-17(31-3)10-5-15/h4-5,9-10,12-14,16H,6-8,11H2,1-3H3,(H,25,29)(H,24,26,30)
• InChIKey: RZFGEDBSYYKQNK-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]-3-(4-methoxyphenyl)propanamide?

The IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide (CID 135892127) is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide.

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

The canonical SMILES for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=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]-3-(4-methoxyphenyl)propanamide?

The InChIKey is RZFGEDBSYYKQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14(2)18-13-22(30)26-23(24-18)28-20(12-19(27-28)16-7-8-16)25-21(29)11-6-15-4-9-17(31-3)10-5-15/h4-5,9-10,12-14,16H,6-8,11H2,1-3H3,(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]-3-(4-methoxyphenyl)propanamide?

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide 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]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 135892127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).