N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C16H16F3N3O3 — CID 95377454

About N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 95377454) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
• PubChem CID: 95377454
• Molecular Formula: C16H16F3N3O3
• Molecular Weight: 355.32 g/mol
• Exact Mass: 355.11
• IUPAC Name: N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
• SMILES: Cc1n[nH]c(=O)c(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1C
• InChI: InChI=1S/C16H16F3N3O3/c1-8-9(2)21-22-15(25)13(8)14(24)20-7-12(23)10-5-3-4-6-11(10)16(17,18)19/h3-6,12,23H,7H2,1-2H3,(H,20,24)(H,22,25)/t12-/m0/s1
• InChIKey: WIEFLTCIFGBTNR-LBPRGKRZSA-N
• XLogP: 1.87
• TPSA: 95.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.32
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?

The IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 95377454) is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

What is the SMILES notation for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?

The canonical SMILES for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1C.

What is the InChIKey of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?

The InChIKey is WIEFLTCIFGBTNR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-8-9(2)21-22-15(25)13(8)14(24)20-7-12(23)10-5-3-4-6-11(10)16(17,18)19/h3-6,12,23H,7H2,1-2H3,(H,20,24)(H,22,25)/t12-/m0/s1.

What are the key properties of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 95377454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).