6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide

C24H19F4N3O — CID 134116944

IUPAC6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C24H19F4N3O/c25-19-10-6-17(7-11-19)22-21(16-4-2-1-3-5-16)14-15-31(30-22)23(32)29-20-12-8-18(9-13-20)24(26,27)28/h1-13,21H,14-15H2,(H,29,32)
InChIKeyWTDQWTYCMFDGMG-UHFFFAOYSA-N
MW441.43 g/mol
LogP6.27
Rot. Bonds3

About 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide

6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide (PubChem CID 134116944) has the molecular formula C24H19F4N3O and a molecular weight of 441.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
PubChem CID134116944
Molecular FormulaC24H19F4N3O
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC Name6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C24H19F4N3O/c25-19-10-6-17(7-11-19)22-21(16-4-2-1-3-5-16)14-15-31(30-22)23(32)29-20-12-8-18(9-13-20)24(26,27)28/h1-13,21H,14-15H2,(H,29,32)
InChIKeyWTDQWTYCMFDGMG-UHFFFAOYSA-N
XLogP6.27
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918
6-(4-chlorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]sulfanyl-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 169188832
N-(1-amino-2,2-dimethylpropylidene)-6-(4-fluorophenyl)-5-phenyl-N'-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine-2-carboximidamide
CID 174060520
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 171985283
4-N,4-N-dimethyl-5-phenyl-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2,4-dicarboxamide
CID 19852523
(NZ)-N-[amino(pyridin-2-yl)methylidene]-6-(4-fluorophenyl)-5-phenyl-N'-[4-(trifluoromethyl)phenyl]sulfanyl-4,5-dihydro-3H-pyridazine-2-carboximidamide
CID 169188797
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
N-[4-(trifluoromethyl)phenyl]-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
CID 23359467
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide
CID 19791322
5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazole-2-carboxamide
CID 18987687

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide (CID 134116944) is 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2)C(c2ccc(F)cc2)=N1.
What is the InChIKey of 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
The InChIKey is WTDQWTYCMFDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O/c25-19-10-6-17(7-11-19)22-21(16-4-2-1-3-5-16)14-15-31(30-22)23(32)29-20-12-8-18(9-13-20)24(26,27)28/h1-13,21H,14-15H2,(H,29,32).
What are the key properties of 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide has a molecular weight of 441.43 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide is sourced from PubChem (CID 134116944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).