1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one

C15H17N3O — CID 24792825

IUPAC1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C15H17N3O/c1-12-6-9-17(16-12)10-8-15(19)18-11-7-13-4-2-3-5-14(13)18/h2-6,9H,7-8,10-11H2,1H3
InChIKeySLJXNZOKZMOCHO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.17
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 24792825) 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-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID24792825
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C15H17N3O/c1-12-6-9-17(16-12)10-8-15(19)18-11-7-13-4-2-3-5-14(13)18/h2-6,9H,7-8,10-11H2,1H3
InChIKeySLJXNZOKZMOCHO-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one (CID 24792825) is 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(CCC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is SLJXNZOKZMOCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-6-9-17(16-12)10-8-15(19)18-11-7-13-4-2-3-5-14(13)18/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 2.17, 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-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 24792825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).