1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

C23H22F3N3O2 — CID 167595266

IUPAC1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCC(C)N1CCc2cc(C(=O)Cc3ccc(OC(F)(F)F)cc3)cc(-c3ccn[nH]3)c21
InChIInChI=1S/C23H22F3N3O2/c1-14(2)29-10-8-16-12-17(13-19(22(16)29)20-7-9-27-28-20)21(30)11-15-3-5-18(6-4-15)31-23(24,25)26/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,27,28)
InChIKeyIZCGKRHSECNPKJ-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.17
Rot. Bonds6

About 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 167595266) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID167595266
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCC(C)N1CCc2cc(C(=O)Cc3ccc(OC(F)(F)F)cc3)cc(-c3ccn[nH]3)c21
InChIInChI=1S/C23H22F3N3O2/c1-14(2)29-10-8-16-12-17(13-19(22(16)29)20-7-9-27-28-20)21(30)11-15-3-5-18(6-4-15)31-23(24,25)26/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,27,28)
InChIKeyIZCGKRHSECNPKJ-UHFFFAOYSA-N
XLogP5.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tetrahydro-benzodipyrazole deriv. 7n
CID 135403030
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CID 118045025
4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 72201728
4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 89907347
4-((3S,4S)-3-Amino-4-hydroxypyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-3-(1H-pyrazol-5-yl)benzamide
CID 118045026
N-[(E)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylindazol-2-ium-5-carboxamide
CID 9687773
4-[4-(difluoromethoxy)phenyl]-3-ethyl-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one
CID 177646801
4-[4-(difluoromethoxy)phenyl]-3-methyl-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one
CID 177660308
N-(2,6-dimethylphenyl)-6-methoxy-3-(1-methylpyrazol-4-yl)-1H-indazole-5-carboxamide
CID 156198938
2-amino-1-[4-(1H-indazole-5-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone;2,2,2-trifluoroacetic acid
CID 117073097
2-amino-1-[4-(1H-indazole-5-carbonyl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone;2,2,2-trifluoroacetic acid
CID 117073132
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CID 18447383

Frequently Asked Questions

What is the IUPAC name of 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 167595266) is 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is CC(C)N1CCc2cc(C(=O)Cc3ccc(OC(F)(F)F)cc3)cc(-c3ccn[nH]3)c21.
What is the InChIKey of 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is IZCGKRHSECNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-14(2)29-10-8-16-12-17(13-19(22(16)29)20-7-9-27-28-20)21(30)11-15-3-5-18(6-4-15)31-23(24,25)26/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,27,28).
What are the key properties of 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 429.44 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 167595266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).