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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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).