Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-
Basic information
- CAS
515846-14-7- Standard SMILES
Cn1cc(C(=O)N2CCc3ccccc32)cn1- InChIKey
PQLLCYOGQUSCOU-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Overview
2,3-dihydroindol-1-yl-(1-methyl-4-pyrazolyl)methanone is an indolyl carboxylic acid.
Names & identifiers
- Preferred name
- Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-
- IUPAC
- 2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone
Names & synonyms
515846-14-7Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-RefChem:3525692,3-dihydroindol-1-yl-(1-methyl-4-pyrazolyl)methanone2,3-dihydroindol-1-yl-(1-methylpyrazol-4-yl)methanone1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]indolineMLS000700528CHEMBL1472311CHEBI:114577DTXSID901167731HMS2554G15AKOS003796349
Show more names
SMR000228322AK-968/41926596Q27195980(2,3-Dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)methanone
Database identifiers
- CAS
515846-14-7- PubChem CID
- 844673
- DTXSID
DTXSID901167731- ChEMBL
CHEMBL1472311- ChEBI
CHEBI:114577
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
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Related reactions
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Compound notes
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