3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C17H21N3O — CID 24790949

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C17H21N3O/c1-12-10-13(2)19(18-12)9-8-17(21)20-14(3)11-15-6-4-5-7-16(15)20/h4-7,10,14H,8-9,11H2,1-3H3
InChIKeyXRYPGYWWJATUCA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.87
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 24790949) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID24790949
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C17H21N3O/c1-12-10-13(2)19(18-12)9-8-17(21)20-14(3)11-15-6-4-5-7-16(15)20/h4-7,10,14H,8-9,11H2,1-3H3
InChIKeyXRYPGYWWJATUCA-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 24790949) is 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is Cc1cc(C)n(CCC(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is XRYPGYWWJATUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-13(2)19(18-12)9-8-17(21)20-14(3)11-15-6-4-5-7-16(15)20/h4-7,10,14H,8-9,11H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 283.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 24790949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).