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

C22H21N5O3 — CID 136614819

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide (PubChem CID 136614819) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 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]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide
• PubChem CID: 136614819
• Molecular Formula: C22H21N5O3
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.16
• IUPAC Name: N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide
• SMILES: Cc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1
• InChI: InChI=1S/C22H21N5O3/c1-13(2)16-12-20(28)25-22(23-16)27-19(11-17(26-27)18-9-6-10-30-18)24-21(29)15-8-5-4-7-14(15)3/h4-13H,1-3H3,(H,24,29)(H,23,25,28)
• InChIKey: UJFQNRVBOCOJEF-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	3.90
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-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide (CID 136614819) is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide.

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]-2-methylbenzamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1.

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

The InChIKey is UJFQNRVBOCOJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13(2)16-12-20(28)25-22(23-16)27-19(11-17(26-27)18-9-6-10-30-18)24-21(29)15-8-5-4-7-14(15)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]-2-methylbenzamide?

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide has a molecular weight of 403.44 g/mol, XLogP of 3.90, 5 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-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 136614819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).