2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

C20H19N3O — CID 2678419

IUPAC2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc43)cc2)n1
InChIInChI=1S/C20H19N3O/c1-14-13-15(2)23(21-14)18-9-7-17(8-10-18)20(24)22-12-11-16-5-3-4-6-19(16)22/h3-10,13H,11-12H2,1-2H3
InChIKeyLIQZWGIOISEFMV-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.69
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (PubChem CID 2678419) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
PubChem CID2678419
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc43)cc2)n1
InChIInChI=1S/C20H19N3O/c1-14-13-15(2)23(21-14)18-9-7-17(8-10-18)20(24)22-12-11-16-5-3-4-6-19(16)22/h3-10,13H,11-12H2,1-2H3
InChIKeyLIQZWGIOISEFMV-UHFFFAOYSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (CID 2678419) is 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc43)cc2)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The InChIKey is LIQZWGIOISEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-13-15(2)23(21-14)18-9-7-17(8-10-18)20(24)22-12-11-16-5-3-4-6-19(16)22/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone has a molecular weight of 317.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 2678419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).