2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone

C20H18FN3O — CID 71015740

IUPAC2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCn1ccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O/c1-23-9-8-18(22-23)15-5-6-19-16(13-15)7-10-24(19)20(25)12-14-3-2-4-17(21)11-14/h2-6,8-9,11,13H,7,10,12H2,1H3
InChIKeyANPMCWXOMJPFQQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.36
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone

2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 71015740) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID71015740
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCn1ccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O/c1-23-9-8-18(22-23)15-5-6-19-16(13-15)7-10-24(19)20(25)12-14-3-2-4-17(21)11-14/h2-6,8-9,11,13H,7,10,12H2,1H3
InChIKeyANPMCWXOMJPFQQ-UHFFFAOYSA-N
XLogP3.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 71015320
1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 170188670
4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 177376101
3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 167657587
2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
2-(3-chloro-5-fluorophenyl)-1-[5-(furan-2-yl)-2,3-dihydroindol-1-yl]ethanone
CID 71015470
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 18206501
3-[2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]benzoic acid
CID 167824242
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone (CID 71015740) is 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone is Cn1ccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ANPMCWXOMJPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-23-9-8-18(22-23)15-5-6-19-16(13-15)7-10-24(19)20(25)12-14-3-2-4-17(21)11-14/h2-6,8-9,11,13H,7,10,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 335.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 71015740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).