5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide

C23H17F3N6O3 — CID 146085815

About 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide (PubChem CID 146085815) has the molecular formula C23H17F3N6O3 and a molecular weight of 482.42 g/mol. Its IUPAC name is 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
• PubChem CID: 146085815
• Molecular Formula: C23H17F3N6O3
• Molecular Weight: 482.42 g/mol
• Exact Mass: 482.13
• IUPAC Name: 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cnn1-c1ccc(=O)[nH]n1
• InChI: InChI=1S/C23H17F3N6O3/c1-13-18(12-27-32(13)19-8-9-20(33)31-30-19)22(35)29-17-7-3-6-16(11-17)28-21(34)14-4-2-5-15(10-14)23(24,25)26/h2-12H,1H3,(H,28,34)(H,29,35)(H,31,33)
• InChIKey: IQCFOUUACXDHDO-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 121.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.42
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide (CID 146085815) is 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cnn1-c1ccc(=O)[nH]n1.

What is the InChIKey of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

The InChIKey is IQCFOUUACXDHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O3/c1-13-18(12-27-32(13)19-8-9-20(33)31-30-19)22(35)29-17-7-3-6-16(11-17)28-21(34)14-4-2-5-15(10-14)23(24,25)26/h2-12H,1H3,(H,28,34)(H,29,35)(H,31,33).

What are the key properties of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide has a molecular weight of 482.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146085815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).