N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide

C18H21N5O3 — CID 136615045

About N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide (PubChem CID 136615045) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide
• PubChem CID: 136615045
• Molecular Formula: C18H21N5O3
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.16
• IUPAC Name: N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide
• SMILES: CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)C(C)C)[nH]c1=O
• InChI: InChI=1S/C18H21N5O3/c1-5-12-11(4)19-18(21-17(12)25)23-15(20-16(24)10(2)3)9-13(22-23)14-7-6-8-26-14/h6-10H,5H2,1-4H3,(H,20,24)(H,19,21,25)
• InChIKey: CAJGZFSVBGIJAC-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.40
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide (CID 136615045) is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide.

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

The canonical SMILES for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide is CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)C(C)C)[nH]c1=O.

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

The InChIKey is CAJGZFSVBGIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-5-12-11(4)19-18(21-17(12)25)23-15(20-16(24)10(2)3)9-13(22-23)14-7-6-8-26-14/h6-10H,5H2,1-4H3,(H,20,24)(H,19,21,25).

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

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide has a molecular weight of 355.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 136615045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).