2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone

C19H21N3O — CID 74487364

IUPAC2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CCc4ccccc43)NN2)cc1
InChIInChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)16-12-17(21-20-16)19(23)22-11-10-15-4-2-3-5-18(15)22/h2-9,16-17,20-21H,10-12H2,1H3
InChIKeyXSHGMMCSDABIOW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.49
Rot. Bonds2

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

2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone (PubChem CID 74487364) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
PubChem CID74487364
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CCc4ccccc43)NN2)cc1
InChIInChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)16-12-17(21-20-16)19(23)22-11-10-15-4-2-3-5-18(15)22/h2-9,16-17,20-21H,10-12H2,1H3
InChIKeyXSHGMMCSDABIOW-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone
CID 75543326
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
2,3-dihydroindol-1-yl(morpholin-3-yl)methanone;hydrochloride
CID 119673083
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide
CID 74651572
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone (CID 74487364) is 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone is Cc1ccc(C2CC(C(=O)N3CCc4ccccc43)NN2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
The InChIKey is XSHGMMCSDABIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)16-12-17(21-20-16)19(23)22-11-10-15-4-2-3-5-18(15)22/h2-9,16-17,20-21H,10-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone has a molecular weight of 307.40 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 2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 74487364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).