3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

C68H50ClF6N15O10 — CID 158194744

IUPAC3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
SMILESCC(=O)c1cccc(C(=O)O)c1.Cc1ncc(-c2cccc(C(=O)Cl)c2)o1.Cc1ncc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)o1.Cc1ncc(-c2cccc(C(=O)O)c2)o1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1
InChIInChI=1S/C24H16F3N7O2.C13H9F3N6.C11H8ClNO2.C11H9NO3.C9H8O3/c1-14-29-13-19(36-14)15-4-2-5-16(10-15)23(35)30-21-7-8-22(32-31-21)34-20(24(25,26)27)11-18(33-34)17-6-3-9-28-12-17;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;1-7-13-6-10(15-7)8-3-2-4-9(5-8)11(12)14;1-7-12-6-10(15-7)8-3-2-4-9(5-8)11(13)14;1-6(10)7-3-2-4-8(5-7)9(11)12/h2-13H,1H3,(H,30,31,35);1-7H,(H2,17,19);2-6H,1H3;2-6H,1H3,(H,13,14);2-5H,1H3,(H,11,12)
InChIKeyGAFAFZMDLQMUOQ-UHFFFAOYSA-N
MW1386.68 g/mol
LogP14.25
Rot. Bonds13

About 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 158194744) has the molecular formula C68H50ClF6N15O10 and a molecular weight of 1386.68 g/mol. Its IUPAC name is 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

Compound Name3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
PubChem CID158194744
Molecular FormulaC68H50ClF6N15O10
Molecular Weight1386.68 g/mol
Exact Mass1385.35
IUPAC Name3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
SMILESCC(=O)c1cccc(C(=O)O)c1.Cc1ncc(-c2cccc(C(=O)Cl)c2)o1.Cc1ncc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)o1.Cc1ncc(-c2cccc(C(=O)O)c2)o1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1
InChIInChI=1S/C24H16F3N7O2.C13H9F3N6.C11H8ClNO2.C11H9NO3.C9H8O3/c1-14-29-13-19(36-14)15-4-2-5-16(10-15)23(35)30-21-7-8-22(32-31-21)34-20(24(25,26)27)11-18(33-34)17-6-3-9-28-12-17;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;1-7-13-6-10(15-7)8-3-2-4-9(5-8)11(12)14;1-7-12-6-10(15-7)8-3-2-4-9(5-8)11(13)14;1-6(10)7-3-2-4-8(5-7)9(11)12/h2-13H,1H3,(H,30,31,35);1-7H,(H2,17,19);2-6H,1H3;2-6H,1H3,(H,13,14);2-5H,1H3,(H,11,12)
InChIKeyGAFAFZMDLQMUOQ-UHFFFAOYSA-N
XLogP14.25
TPSA354.93 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.68
LogP ≤ 514.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-3-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]urea;3-cyano-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-methyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-propyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-(2H-tetrazol-5-yl)benzamide
CID 157056568
methyl 3-formylbenzoate;methyl 3-(1,3-oxazol-5-yl)benzoate;N-[(4-methylphenyl)sulfonylmethyl]methanimine;3-(1,3-oxazol-5-yl)benzoic acid;3-(1,3-oxazol-5-yl)benzoyl chloride;3-(1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
CID 157283415
6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid;1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone
CID 167663836

Frequently Asked Questions

What is the IUPAC name of 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
The IUPAC name of 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 158194744) is 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.
What is the SMILES notation for 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
The canonical SMILES for 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is CC(=O)c1cccc(C(=O)O)c1.Cc1ncc(-c2cccc(C(=O)Cl)c2)o1.Cc1ncc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)o1.Cc1ncc(-c2cccc(C(=O)O)c2)o1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.
What is the InChIKey of 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
The InChIKey is GAFAFZMDLQMUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N7O2.C13H9F3N6.C11H8ClNO2.C11H9NO3.C9H8O3/c1-14-29-13-19(36-14)15-4-2-5-16(10-15)23(35)30-21-7-8-22(32-31-21)34-20(24(25,26)27)11-18(33-34)17-6-3-9-28-12-17;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;1-7-13-6-10(15-7)8-3-2-4-9(5-8)11(12)14;1-7-12-6-10(15-7)8-3-2-4-9(5-8)11(13)14;1-6(10)7-3-2-4-8(5-7)9(11)12/h2-13H,1H3,(H,30,31,35);1-7H,(H2,17,19);2-6H,1H3;2-6H,1H3,(H,13,14);2-5H,1H3,(H,11,12).
What are the key properties of 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?
3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 1386.68 g/mol, XLogP of 14.25, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylbenzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoic acid;3-(2-methyl-1,3-oxazol-5-yl)benzoyl chloride;3-(2-methyl-1,3-oxazol-5-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 158194744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).