N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide

C32H25N5O3 — CID 136615279

About N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide

N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide (PubChem CID 136615279) has the molecular formula C32H25N5O3 and a molecular weight of 527.58 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide
• PubChem CID: 136615279
• Molecular Formula: C32H25N5O3
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.20
• IUPAC Name: N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide
• SMILES: O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
• InChI: InChI=1S/C32H25N5O3/c38-30(19-25(22-11-4-1-5-12-22)23-13-6-2-7-14-23)34-29-20-27(28-17-10-18-40-28)36-37(29)32-33-26(21-31(39)35-32)24-15-8-3-9-16-24/h1-18,20-21,25H,19H2,(H,34,38)(H,33,35,39)
• InChIKey: CKLFSBZLPWTXJJ-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide (CID 136615279) is N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1.

What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide?

The InChIKey is CKLFSBZLPWTXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5O3/c38-30(19-25(22-11-4-1-5-12-22)23-13-6-2-7-14-23)34-29-20-27(28-17-10-18-40-28)36-37(29)32-33-26(21-31(39)35-32)24-15-8-3-9-16-24/h1-18,20-21,25H,19H2,(H,34,38)(H,33,35,39).

What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide?

N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide has a molecular weight of 527.58 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 136615279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).