2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone

C15H16ClN3O — CID 116594603

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H16ClN3O/c1-9-11(15(16)19(2)18-9)7-14(20)12-8-17-13-6-4-3-5-10(12)13/h3-6,12,17H,7-8H2,1-2H3
InChIKeyHRFJFNZSBOSRKD-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.70
Rot. Bonds3

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 116594603) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID116594603
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H16ClN3O/c1-9-11(15(16)19(2)18-9)7-14(20)12-8-17-13-6-4-3-5-10(12)13/h3-6,12,17H,7-8H2,1-2H3
InChIKeyHRFJFNZSBOSRKD-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone
CID 116561672
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 114670399
1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
CID 116594496
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565639
1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116587484
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729
2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116594634
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116580783
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-pyridin-4-ylbutan-2-one
CID 105128123
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105128260
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115799467

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 116594603) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone is Cc1nn(C)c(Cl)c1CC(=O)C1CNc2ccccc21.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is HRFJFNZSBOSRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-11(15(16)19(2)18-9)7-14(20)12-8-17-13-6-4-3-5-10(12)13/h3-6,12,17H,7-8H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 289.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 116594603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).