N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C19H14F3N3O2 — CID 1481280

IUPACN-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C19H14F3N3O2/c1-12-5-2-3-8-15(12)23-18(27)17-16(26)9-10-25(24-17)14-7-4-6-13(11-14)19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeyLBINUJMGJAGGJX-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.81
Rot. Bonds3

About N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 1481280) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID1481280
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C19H14F3N3O2/c1-12-5-2-3-8-15(12)23-18(27)17-16(26)9-10-25(24-17)14-7-4-6-13(11-14)19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeyLBINUJMGJAGGJX-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxamide
CID 1481283
4-Oxo-1-pentyl-6-phenyl-n3-(3(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxamide
CID 49840760
N-[3-(1,1-difluoroethyl)phenyl]-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 139433348
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxamide
CID 1481279
N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 17397569
N-methyl-1-(4-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxamide
CID 1481294
3-[3-(dimethylamino)prop-2-enoyl]-1-[4-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
CID 2745040
3-((E)-3-Dimethylamino-acryloyl)-1-(4-trifluoromethyl-phenyl)-1H-pyridazin-4-one
CID 5704110
US11690850, Example 29
CID 156391443
US11690850, Example 27
CID 156391517
US11690850, Example 69
CID 156391649
5-ethyl-3-oxo-2-phenyl-N-(3-(trifluoromethyl)phenyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16820370

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 1481280) is N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is LBINUJMGJAGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-12-5-2-3-8-15(12)23-18(27)17-16(26)9-10-25(24-17)14-7-4-6-13(11-14)19(20,21)22/h2-11H,1H3,(H,23,27).
What are the key properties of N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 1481280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).