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

C21H19N5O5 — CID 136606153

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide (PubChem CID 136606153) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide
• PubChem CID: 136606153
• Molecular Formula: C21H19N5O5
• Molecular Weight: 421.41 g/mol
• Exact Mass: 421.14
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)c1
• InChI: InChI=1S/C21H19N5O5/c1-12-7-19(27)24-21(22-12)26-18(11-16(25-26)17-5-4-6-31-17)23-20(28)13-8-14(29-2)10-15(9-13)30-3/h4-11H,1-3H3,(H,23,28)(H,22,24,27)
• InChIKey: ZBFAXVQXOBFGJP-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.41
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide (CID 136606153) is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide.

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

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)c1.

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

The InChIKey is ZBFAXVQXOBFGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c1-12-7-19(27)24-21(22-12)26-18(11-16(25-26)17-5-4-6-31-17)23-20(28)13-8-14(29-2)10-15(9-13)30-3/h4-11H,1-3H3,(H,23,28)(H,22,24,27).

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide has a molecular weight of 421.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 136606153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).