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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).