[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone

C17H19N3O — CID 125139492

IUPAC[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESCc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccnnc3)C2)cc1
InChIInChI=1S/C17H19N3O/c1-12-3-5-14(6-4-12)16-9-13(2)20(11-16)17(21)15-7-8-18-19-10-15/h3-8,10,13,16H,9,11H2,1-2H3/t13-,16+/m1/s1
InChIKeyJRVPVUWNEHYCEM-CJNGLKHVSA-N
MW281.36 g/mol
LogP2.80
Rot. Bonds2

About [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone

[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 125139492) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID125139492
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESCc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccnnc3)C2)cc1
InChIInChI=1S/C17H19N3O/c1-12-3-5-14(6-4-12)16-9-13(2)20(11-16)17(21)15-7-8-18-19-10-15/h3-8,10,13,16H,9,11H2,1-2H3/t13-,16+/m1/s1
InChIKeyJRVPVUWNEHYCEM-CJNGLKHVSA-N
XLogP2.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone 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

[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
CID 124693508
[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 100700529
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326
2-(benzotriazol-1-yl)-1-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 155949528
[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 124889015
5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137416
5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120550364
(4-fluorophenyl)-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369460
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
[(1R,4S,7R)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridazin-4-ylmethanone
CID 124802546
(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
CID 114682903

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone (CID 125139492) is [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone is Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccnnc3)C2)cc1.
What is the InChIKey of [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is JRVPVUWNEHYCEM-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-3-5-14(6-4-12)16-9-13(2)20(11-16)17(21)15-7-8-18-19-10-15/h3-8,10,13,16H,9,11H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 125139492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).