1,3,5-triphenylpyrazole

C21H16N2 — CID 626614

IUPAC1,3,5-triphenylpyrazole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-16H
InChIKeyYQDSXDPQYUXRDP-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.21
Rot. Bonds3

About 1,3,5-triphenylpyrazole

1,3,5-triphenylpyrazole (PubChem CID 626614) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,3,5-triphenylpyrazole.

Molecular Properties

Compound Name1,3,5-triphenylpyrazole
PubChem CID626614
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name1,3,5-triphenylpyrazole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-16H
InChIKeyYQDSXDPQYUXRDP-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenylpyrazole?
The IUPAC name of 1,3,5-triphenylpyrazole (CID 626614) is 1,3,5-triphenylpyrazole.
What is the SMILES notation for 1,3,5-triphenylpyrazole?
The canonical SMILES for 1,3,5-triphenylpyrazole is c1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 1,3,5-triphenylpyrazole?
The InChIKey is YQDSXDPQYUXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 1,3,5-triphenylpyrazole?
1,3,5-triphenylpyrazole has a molecular weight of 296.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenylpyrazole is sourced from PubChem (CID 626614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).