N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide

C21H23N5O3 — CID 74797561

About N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide (PubChem CID 74797561) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide
• PubChem CID: 74797561
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide
• SMILES: CC1CC(=O)NC(n2nc(-c3ccco3)cc2NC(=O)CCc2ccccc2)N1
• InChI: InChI=1S/C21H23N5O3/c1-14-12-20(28)24-21(22-14)26-18(13-16(25-26)17-8-5-11-29-17)23-19(27)10-9-15-6-3-2-4-7-15/h2-8,11,13-14,21-22H,9-10,12H2,1H3,(H,23,27)(H,24,28)
• InChIKey: KUGSTANNOWZMLQ-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 101.19 Ų
• H-Bond Donors: 3
• 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	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide (CID 74797561) is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide is CC1CC(=O)NC(n2nc(-c3ccco3)cc2NC(=O)CCc2ccccc2)N1.

What is the InChIKey of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide?

The InChIKey is KUGSTANNOWZMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-12-20(28)24-21(22-14)26-18(13-16(25-26)17-8-5-11-29-17)23-19(27)10-9-15-6-3-2-4-7-15/h2-8,11,13-14,21-22H,9-10,12H2,1H3,(H,23,27)(H,24,28).

What are the key properties of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide?

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide has a molecular weight of 393.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 74797561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).