3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole

C29H23N3 — CID 134948076

IUPAC3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)(c3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C29H23N3/c1-4-12-22(13-5-1)28-20-29(23-14-6-2-7-15-23,32(31-28)24-16-8-3-9-17-24)26-21-30-27-19-11-10-18-25(26)27/h1-19,21,30H,20H2
InChIKeyOCJPCSCLOYLFBP-UHFFFAOYSA-N
MW413.52 g/mol
LogP6.73
Rot. Bonds4

About 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole

3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole (PubChem CID 134948076) has the molecular formula C29H23N3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole
PubChem CID134948076
Molecular FormulaC29H23N3
Molecular Weight413.52 g/mol
Exact Mass413.19
IUPAC Name3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)(c3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C29H23N3/c1-4-12-22(13-5-1)28-20-29(23-14-6-2-7-15-23,32(31-28)24-16-8-3-9-17-24)26-21-30-27-19-11-10-18-25(26)27/h1-19,21,30H,20H2
InChIKeyOCJPCSCLOYLFBP-UHFFFAOYSA-N
XLogP6.73
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 7374228
5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 3124415
5-ethenyl-1,3,5-triphenyl-4H-pyrazole
CID 13152578
[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
CID 72734788
3-(1-phenylpyrazol-4-yl)-1H-indole
CID 70687777
methane;3-phenyl-1H-indole
CID 167711687
3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole
CID 21240625
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol
CID 174442573
3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole
CID 822975
5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
CID 71666857
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole?
The IUPAC name of 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole (CID 134948076) is 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole.
What is the SMILES notation for 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole?
The canonical SMILES for 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole is c1ccc(C2=NN(c3ccccc3)C(c3ccccc3)(c3c[nH]c4ccccc34)C2)cc1.
What is the InChIKey of 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole?
The InChIKey is OCJPCSCLOYLFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3/c1-4-12-22(13-5-1)28-20-29(23-14-6-2-7-15-23,32(31-28)24-16-8-3-9-17-24)26-21-30-27-19-11-10-18-25(26)27/h1-19,21,30H,20H2.
What are the key properties of 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole?
3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole has a molecular weight of 413.52 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole is sourced from PubChem (CID 134948076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).