N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C19H17F3N4O2 — CID 31882555

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 31882555) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 31882555
• Molecular Formula: C19H17F3N4O2
• Molecular Weight: 390.37 g/mol
• Exact Mass: 390.13
• IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1nc(C(F)(F)F)ccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
• InChI: InChI=1S/C19H17F3N4O2/c1-11-14(9-10-15(23-11)19(20,21)22)17(27)24-16-12(2)25(3)26(18(16)28)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,24,27)
• InChIKey: CTOONYZMJCNZGT-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 68.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.37
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 31882555) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.

What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is CTOONYZMJCNZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-14(9-10-15(23-11)19(20,21)22)17(27)24-16-12(2)25(3)26(18(16)28)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,24,27).

What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 31882555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).