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

C22H20ClN5O4 — CID 136606191

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

2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide (PubChem CID 136606191) has the molecular formula C22H20ClN5O4 and a molecular weight of 453.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
• PubChem CID: 136606191
• Molecular Formula: C22H20ClN5O4
• Molecular Weight: 453.89 g/mol
• Exact Mass: 453.12
• IUPAC Name: 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C22H20ClN5O4/c1-13-11-19(29)26-21(24-13)28-18(12-16(27-28)17-5-4-10-31-17)25-20(30)22(2,3)32-15-8-6-14(23)7-9-15/h4-12H,1-3H3,(H,25,30)(H,24,26,29)
• InChIKey: CQMAZHYHABENFF-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.89
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide (CID 136606191) is 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide is Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.

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

The InChIKey is CQMAZHYHABENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O4/c1-13-11-19(29)26-21(24-13)28-18(12-16(27-28)17-5-4-10-31-17)25-20(30)22(2,3)32-15-8-6-14(23)7-9-15/h4-12H,1-3H3,(H,25,30)(H,24,26,29).

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

2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide has a molecular weight of 453.89 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 136606191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).