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

C16H19N3O — CID 24792824

IUPAC1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-12-11-13(2)19(17-12)10-8-16(20)18-9-7-14-5-3-4-6-15(14)18/h3-6,11H,7-10H2,1-2H3
InChIKeyZVATXWRKQXEUDH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.48
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 24792824) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID24792824
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-12-11-13(2)19(17-12)10-8-16(20)18-9-7-14-5-3-4-6-15(14)18/h3-6,11H,7-10H2,1-2H3
InChIKeyZVATXWRKQXEUDH-UHFFFAOYSA-N
XLogP2.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[2-Oxo-2-(1-Pyrrolidinyl)ethyl]phenyl}-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 24827045
1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1Hindazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 25015611
1-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24825905
1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827139
1-({4-[6-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951944
1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
CID 25015613
1-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]indoline
CID 844287
1-(3,5-Dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 3305779
3-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 3800305
3-(3,5-Dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 24790949
1-(2,3-Dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one
CID 24793689
1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 725789

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 24792824) is 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(CCC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is ZVATXWRKQXEUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-11-13(2)19(17-12)10-8-16(20)18-9-7-14-5-3-4-6-15(14)18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.48, 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-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 24792824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).