3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide

C15H14F3N3O2 — CID 136517427

IUPAC3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide
SMILESCc1nnccc1C(=O)Nc1cccc(OCC(F)(F)F)c1C
InChIInChI=1S/C15H14F3N3O2/c1-9-12(4-3-5-13(9)23-8-15(16,17)18)20-14(22)11-6-7-19-21-10(11)2/h3-7H,8H2,1-2H3,(H,20,22)
InChIKeyJJBAGCLLEZOBJG-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.29
Rot. Bonds4

About 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide

3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide (PubChem CID 136517427) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide
PubChem CID136517427
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide
SMILESCc1nnccc1C(=O)Nc1cccc(OCC(F)(F)F)c1C
InChIInChI=1S/C15H14F3N3O2/c1-9-12(4-3-5-13(9)23-8-15(16,17)18)20-14(22)11-6-7-19-21-10(11)2/h3-7H,8H2,1-2H3,(H,20,22)
InChIKeyJJBAGCLLEZOBJG-UHFFFAOYSA-N
XLogP3.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide
CID 16745818
1-(3-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327136
1-ethyl-3-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-4-carboxamide
CID 4078202
N-(2-methyl-5-phenylmethoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725457
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]pyridine-3-carboxamide
CID 53568632
N-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}pyridazine-4-carboxamide
CID 131914083
1-methyl-N-[2-[(3-methylphenoxy)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22980771
3-(difluoromethyl)-N-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 22980785
N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide
CID 25118641
3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentan-3-yloxyphenyl)pyrazole-4-carboxamide
CID 91799352
2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide
CID 122480475
N-(3-butan-2-yloxy-2-methylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 122592150

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide (CID 136517427) is 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide is Cc1nnccc1C(=O)Nc1cccc(OCC(F)(F)F)c1C.
What is the InChIKey of 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide?
The InChIKey is JJBAGCLLEZOBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-9-12(4-3-5-13(9)23-8-15(16,17)18)20-14(22)11-6-7-19-21-10(11)2/h3-7H,8H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide?
3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 136517427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).