2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone

C18H19N3O — CID 52990007

IUPAC2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCc2ccccc21
InChIInChI=1S/C18H19N3O/c22-18(21-11-10-14-8-4-5-9-17(14)21)16-12-15(19-20-16)13-6-2-1-3-7-13/h1-9,15-16,19-20H,10-12H2
InChIKeyQSQNLHJMZYQBBX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.18
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone

2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone (PubChem CID 52990007) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
PubChem CID52990007
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCc2ccccc21
InChIInChI=1S/C18H19N3O/c22-18(21-11-10-14-8-4-5-9-17(14)21)16-12-15(19-20-16)13-6-2-1-3-7-13/h1-9,15-16,19-20H,10-12H2
InChIKeyQSQNLHJMZYQBBX-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.18
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
2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone
CID 75543326
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
2,3-dihydroindol-1-yl(morpholin-3-yl)methanone;hydrochloride
CID 119673083
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
(1R,2S,4S,5R,6S,7S)-7-(2,3-dihydroindole-1-carbonyl)tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 98189242
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone (CID 52990007) is 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone is O=C(C1CC(c2ccccc2)NN1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
The InChIKey is QSQNLHJMZYQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(21-11-10-14-8-4-5-9-17(14)21)16-12-15(19-20-16)13-6-2-1-3-7-13/h1-9,15-16,19-20H,10-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 52990007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).