6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one

C18H19F3N2O2 — CID 71885385

IUPAC6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESCc1ccc(C(O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1C
InChIInChI=1S/C18H19F3N2O2/c1-10-3-4-13(7-11(10)2)16(24)9-23-17(25)14(18(19,20)21)8-15(22-23)12-5-6-12/h3-4,7-8,12,16,24H,5-6,9H2,1-2H3
InChIKeyFPFVYFXGGMNLFM-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.49
Rot. Bonds4

About 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 71885385) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID71885385
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESCc1ccc(C(O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1C
InChIInChI=1S/C18H19F3N2O2/c1-10-3-4-13(7-11(10)2)16(24)9-23-17(25)14(18(19,20)21)8-15(22-23)12-5-6-12/h3-4,7-8,12,16,24H,5-6,9H2,1-2H3
InChIKeyFPFVYFXGGMNLFM-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one (CID 71885385) is 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one is Cc1ccc(C(O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1C.
What is the InChIKey of 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is FPFVYFXGGMNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-10-3-4-13(7-11(10)2)16(24)9-23-17(25)14(18(19,20)21)8-15(22-23)12-5-6-12/h3-4,7-8,12,16,24H,5-6,9H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 352.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 71885385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).