2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one

C15H16N2O — CID 103004235

IUPAC2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one
SMILESCn1nccc1CCC1Cc2ccccc2C1=O
InChIInChI=1S/C15H16N2O/c1-17-13(8-9-16-17)7-6-12-10-11-4-2-3-5-14(11)15(12)18/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyYGHKDXNGRWAIOL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.41
Rot. Bonds3

About 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one

2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one (PubChem CID 103004235) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one
PubChem CID103004235
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one
SMILESCn1nccc1CCC1Cc2ccccc2C1=O
InChIInChI=1S/C15H16N2O/c1-17-13(8-9-16-17)7-6-12-10-11-4-2-3-5-14(11)15(12)18/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyYGHKDXNGRWAIOL-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole
CID 103013921
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroinden-1-one
CID 62126753
2-[2-(2-methylpyrazol-3-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103015506
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydroinden-1-one
CID 63062296
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
2-(5-aminopentyl)-2,3-dihydroinden-1-one
CID 23389014
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
5-[2-(5-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethyl]-1-methylpyrazole
CID 103013891
2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one
CID 15316015
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one (CID 103004235) is 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one is Cn1nccc1CCC1Cc2ccccc2C1=O.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one?
The InChIKey is YGHKDXNGRWAIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17-13(8-9-16-17)7-6-12-10-11-4-2-3-5-14(11)15(12)18/h2-5,8-9,12H,6-7,10H2,1H3.
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one?
2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one has a molecular weight of 240.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 103004235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).