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

C22H21N5O5 — CID 136606274

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

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide (PubChem CID 136606274) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide
• PubChem CID: 136606274
• Molecular Formula: C22H21N5O5
• Molecular Weight: 435.44 g/mol
• Exact Mass: 435.15
• IUPAC Name: N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide
• SMILES: CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(OC)c(OC)c2)n1
• InChI: InChI=1S/C22H21N5O5/c1-4-14-11-20(28)25-22(23-14)27-19(12-15(26-27)16-6-5-9-32-16)24-21(29)13-7-8-17(30-2)18(10-13)31-3/h5-12H,4H2,1-3H3,(H,24,29)(H,23,25,28)
• InChIKey: ZYDDEULVXVZCAQ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.44
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide (CID 136606274) is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide.

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

The canonical SMILES for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide is CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(OC)c(OC)c2)n1.

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

The InChIKey is ZYDDEULVXVZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-4-14-11-20(28)25-22(23-14)27-19(12-15(26-27)16-6-5-9-32-16)24-21(29)13-7-8-17(30-2)18(10-13)31-3/h5-12H,4H2,1-3H3,(H,24,29)(H,23,25,28).

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

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide has a molecular weight of 435.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 136606274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).