1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one

C15H17N3O — CID 24793689

IUPAC1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCc2ccccc21)n1cccn1
InChIInChI=1S/C15H17N3O/c1-12(18-9-4-8-16-18)11-15(19)17-10-7-13-5-2-3-6-14(13)17/h2-6,8-9,12H,7,10-11H2,1H3
InChIKeyPQPIMGUGKIIHDS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.42
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one

1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one (PubChem CID 24793689) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one
PubChem CID24793689
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCc2ccccc21)n1cccn1
InChIInChI=1S/C15H17N3O/c1-12(18-9-4-8-16-18)11-15(19)17-10-7-13-5-2-3-6-14(13)17/h2-6,8-9,12H,7,10-11H2,1H3
InChIKeyPQPIMGUGKIIHDS-UHFFFAOYSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one (CID 24793689) is 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one is CC(CC(=O)N1CCc2ccccc21)n1cccn1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one?
The InChIKey is PQPIMGUGKIIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12(18-9-4-8-16-18)11-15(19)17-10-7-13-5-2-3-6-14(13)17/h2-6,8-9,12H,7,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one?
1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one has a molecular weight of 255.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 24793689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).