N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide

C22H21N5O4 — CID 136614826

About N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide (PubChem CID 136614826) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide
• PubChem CID: 136614826
• Molecular Formula: C22H21N5O4
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.16
• IUPAC Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c1
• InChI: InChI=1S/C22H21N5O4/c1-13(2)16-12-20(28)25-22(23-16)27-19(11-17(26-27)18-8-5-9-31-18)24-21(29)14-6-4-7-15(10-14)30-3/h4-13H,1-3H3,(H,24,29)(H,23,25,28)
• InChIKey: OQLSFHBRUDCIIZ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide (CID 136614826) is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide.

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

The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c1.

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

The InChIKey is OQLSFHBRUDCIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-13(2)16-12-20(28)25-22(23-16)27-19(11-17(26-27)18-8-5-9-31-18)24-21(29)14-6-4-7-15(10-14)30-3/h4-13H,1-3H3,(H,24,29)(H,23,25,28).

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide has a molecular weight of 419.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 136614826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).