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

C20H15ClFN5O3 — CID 136606294

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

2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide (PubChem CID 136606294) has the molecular formula C20H15ClFN5O3 and a molecular weight of 427.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide
• PubChem CID: 136606294
• Molecular Formula: C20H15ClFN5O3
• Molecular Weight: 427.82 g/mol
• Exact Mass: 427.08
• IUPAC Name: 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide
• SMILES: CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2c(F)cccc2Cl)n1
• InChI: InChI=1S/C20H15ClFN5O3/c1-2-11-9-17(28)25-20(23-11)27-16(10-14(26-27)15-7-4-8-30-15)24-19(29)18-12(21)5-3-6-13(18)22/h3-10H,2H2,1H3,(H,24,29)(H,23,25,28)
• InChIKey: ZIQCXIXTKVYBEY-UHFFFAOYSA-N
• XLogP: 3.82
• 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	427.82
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide (CID 136606294) is 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide.

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

The canonical SMILES for 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide is CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2c(F)cccc2Cl)n1.

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

The InChIKey is ZIQCXIXTKVYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O3/c1-2-11-9-17(28)25-20(23-11)27-16(10-14(26-27)15-7-4-8-30-15)24-19(29)18-12(21)5-3-6-13(18)22/h3-10H,2H2,1H3,(H,24,29)(H,23,25,28).

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

2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide has a molecular weight of 427.82 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide is sourced from PubChem (CID 136606294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).