2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone

C19H17N3O — CID 174670518

IUPAC2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCc2cccc(-c3ccn[nH]3)c21
InChIInChI=1S/C19H17N3O/c23-18(13-14-5-2-1-3-6-14)22-12-10-15-7-4-8-16(19(15)22)17-9-11-20-21-17/h1-9,11H,10,12-13H2,(H,20,21)
InChIKeyXFXFNRLAMRSOPE-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.21
Rot. Bonds3

About 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone

2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 174670518) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID174670518
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCc2cccc(-c3ccn[nH]3)c21
InChIInChI=1S/C19H17N3O/c23-18(13-14-5-2-1-3-6-14)22-12-10-15-7-4-8-16(19(15)22)17-9-11-20-21-17/h1-9,11H,10,12-13H2,(H,20,21)
InChIKeyXFXFNRLAMRSOPE-UHFFFAOYSA-N
XLogP3.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone
CID 112537046
1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 114455761
2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid
CID 163206772
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 63214929
3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 154069923
2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 110743982
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
CID 126776988
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
CID 166404156
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
1-(7-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
CID 166407068

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone (CID 174670518) is 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone is O=C(Cc1ccccc1)N1CCc2cccc(-c3ccn[nH]3)c21.
What is the InChIKey of 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is XFXFNRLAMRSOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-18(13-14-5-2-1-3-6-14)22-12-10-15-7-4-8-16(19(15)22)17-9-11-20-21-17/h1-9,11H,10,12-13H2,(H,20,21).
What are the key properties of 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone?
2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 303.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 174670518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).