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

C17H21N3O — CID 24790998

IUPAC1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
SMILESCc1cc(C)n(C(C)CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-12-10-13(2)20(18-12)14(3)11-17(21)19-9-8-15-6-4-5-7-16(15)19/h4-7,10,14H,8-9,11H2,1-3H3
InChIKeyUGMIFPRVOXILHI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.04
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one (PubChem CID 24790998) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
PubChem CID24790998
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
SMILESCc1cc(C)n(C(C)CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-12-10-13(2)20(18-12)14(3)11-17(21)19-9-8-15-6-4-5-7-16(15)19/h4-7,10,14H,8-9,11H2,1-3H3
InChIKeyUGMIFPRVOXILHI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 40840982
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
CID 104502030
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 51237135
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46343011
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111279107

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one (CID 24790998) is 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one is Cc1cc(C)n(C(C)CC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one?
The InChIKey is UGMIFPRVOXILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-13(2)20(18-12)14(3)11-17(21)19-9-8-15-6-4-5-7-16(15)19/h4-7,10,14H,8-9,11H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one has a molecular weight of 283.38 g/mol, XLogP of 3.04, 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)butan-1-one is sourced from PubChem (CID 24790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).