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

C15H17N3O — CID 116554273

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2ccc3c(c2)CCN3)cn1
InChIInChI=1S/C15H17N3O/c1-2-18-10-11(9-17-18)7-15(19)13-3-4-14-12(8-13)5-6-16-14/h3-4,8-10,16H,2,5-7H2,1H3
InChIKeyZVWSYGZSABBHDI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.30
Rot. Bonds4

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

1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 116554273) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID116554273
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2ccc3c(c2)CCN3)cn1
InChIInChI=1S/C15H17N3O/c1-2-18-10-11(9-17-18)7-15(19)13-3-4-14-12(8-13)5-6-16-14/h3-4,8-10,16H,2,5-7H2,1H3
InChIKeyZVWSYGZSABBHDI-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(6-bromonaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965347
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554232
1-(4-bromo-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965452
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965431
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
1-(3-bromo-5-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 107944320
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60937956

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 116554273) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)c2ccc3c(c2)CCN3)cn1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is ZVWSYGZSABBHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-18-10-11(9-17-18)7-15(19)13-3-4-14-12(8-13)5-6-16-14/h3-4,8-10,16H,2,5-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116554273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).