2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone

C16H19N3O — CID 116593479

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H19N3O/c1-2-9-19-15(7-8-18-19)16(20)10-12-11-17-14-6-4-3-5-13(12)14/h3-8,12,17H,2,9-11H2,1H3
InChIKeyPWIYMHUHTCLQSE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.08
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone

2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone (PubChem CID 116593479) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone
PubChem CID116593479
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H19N3O/c1-2-9-19-15(7-8-18-19)16(20)10-12-11-17-14-6-4-3-5-13(12)14/h3-8,12,17H,2,9-11H2,1H3
InChIKeyPWIYMHUHTCLQSE-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
2-(2,3-dihydro-1H-indol-3-yl)-1-(4-ethylphenyl)ethanone
CID 116593600
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 114670399
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107361507
1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106655553
2-propylpyrazole-3-carboxylic acid
CID 7017775
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
2-(2,3-dihydro-1H-indol-3-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 80572564
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone (CID 116593479) is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone is CCCn1nccc1C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone?
The InChIKey is PWIYMHUHTCLQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-9-19-15(7-8-18-19)16(20)10-12-11-17-14-6-4-3-5-13(12)14/h3-8,12,17H,2,9-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone?
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone has a molecular weight of 269.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116593479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).