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

C20H14F3N5O3 — CID 136606179

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide (PubChem CID 136606179) has the molecular formula C20H14F3N5O3 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 136606179
• Molecular Formula: C20H14F3N5O3
• Molecular Weight: 429.36 g/mol
• Exact Mass: 429.10
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C20H14F3N5O3/c1-11-8-17(29)26-19(24-11)28-16(10-14(27-28)15-6-3-7-31-15)25-18(30)12-4-2-5-13(9-12)20(21,22)23/h2-10H,1H3,(H,25,30)(H,24,26,29)
• InChIKey: NQBRUZYKSHVVQV-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.36
LogP ≤ 5	3.80
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-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide (CID 136606179) is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide is Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1.

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

The InChIKey is NQBRUZYKSHVVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3/c1-11-8-17(29)26-19(24-11)28-16(10-14(27-28)15-6-3-7-31-15)25-18(30)12-4-2-5-13(9-12)20(21,22)23/h2-10H,1H3,(H,25,30)(H,24,26,29).

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

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 429.36 g/mol, XLogP of 3.80, 4 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-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 136606179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).