2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one

C19H20F3N3O3 — CID 126826641

IUPAC2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC2(C)Cc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C19H20F3N3O3/c1-18(12-13-4-6-14(7-5-13)28-19(20,21)22)10-3-11-25(18)17(27)15-8-9-16(26)24(2)23-15/h4-9H,3,10-12H2,1-2H3
InChIKeyRKGUCLMBWXHRKJ-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.92
Rot. Bonds4

About 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 126826641) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID126826641
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC2(C)Cc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C19H20F3N3O3/c1-18(12-13-4-6-14(7-5-13)28-19(20,21)22)10-3-11-25(18)17(27)15-8-9-16(26)24(2)23-15/h4-9H,3,10-12H2,1-2H3
InChIKeyRKGUCLMBWXHRKJ-UHFFFAOYSA-N
XLogP2.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one (CID 126826641) is 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCCC2(C)Cc2ccc(OC(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is RKGUCLMBWXHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-18(12-13-4-6-14(7-5-13)28-19(20,21)22)10-3-11-25(18)17(27)15-8-9-16(26)24(2)23-15/h4-9H,3,10-12H2,1-2H3.
What are the key properties of 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 395.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 126826641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).