2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C22H22FN3O — CID 52535876

IUPAC2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C22H22FN3O/c1-14-12-17-8-4-6-10-20(17)25(14)22(27)13-18-15(2)24-26(16(18)3)21-11-7-5-9-19(21)23/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1
InChIKeyIEZZJXHCNSWCCC-AWEZNQCLSA-N
MW363.44 g/mol
LogP4.15
Rot. Bonds3

About 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 52535876) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID52535876
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C22H22FN3O/c1-14-12-17-8-4-6-10-20(17)25(14)22(27)13-18-15(2)24-26(16(18)3)21-11-7-5-9-19(21)23/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1
InChIKeyIEZZJXHCNSWCCC-AWEZNQCLSA-N
XLogP4.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110651148
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110427435
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679760
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 24655557
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 61381036
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 52535876) is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is IEZZJXHCNSWCCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-14-12-17-8-4-6-10-20(17)25(14)22(27)13-18-15(2)24-26(16(18)3)21-11-7-5-9-19(21)23/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 363.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 52535876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).