3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone

C20H23N3O — CID 75605811

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CCc4ccccc4C3)NN2)cc1
InChIInChI=1S/C20H23N3O/c1-14-6-8-16(9-7-14)18-12-19(22-21-18)20(24)23-11-10-15-4-2-3-5-17(15)13-23/h2-9,18-19,21-22H,10-13H2,1H3
InChIKeyBPHYNRXYBLDWBH-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.49
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone (PubChem CID 75605811) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
PubChem CID75605811
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CCc4ccccc4C3)NN2)cc1
InChIInChI=1S/C20H23N3O/c1-14-6-8-16(9-7-14)18-12-19(22-21-18)20(24)23-11-10-15-4-2-3-5-17(15)13-23/h2-9,18-19,21-22H,10-13H2,1H3
InChIKeyBPHYNRXYBLDWBH-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487364
3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone
CID 75118313
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenylpyrazolidin-3-yl)methanone
CID 78640436
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
CID 71651121
3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoro-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 171141797
1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
CID 134800268

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone (CID 75605811) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone is Cc1ccc(C2CC(C(=O)N3CCc4ccccc4C3)NN2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
The InChIKey is BPHYNRXYBLDWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-6-8-16(9-7-14)18-12-19(22-21-18)20(24)23-11-10-15-4-2-3-5-17(15)13-23/h2-9,18-19,21-22H,10-13H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 75605811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).