1,3-diphenylpyrazole

C15H12N2 — CID 613284

IUPAC1,3-diphenylpyrazole
SMILESc1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12N2/c1-3-7-13(8-4-1)15-11-12-17(16-15)14-9-5-2-6-10-14/h1-12H
InChIKeyLQUBXCVRJZGBLM-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.54
Rot. Bonds2

About 1,3-diphenylpyrazole

1,3-diphenylpyrazole (PubChem CID 613284) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1,3-diphenylpyrazole.

Molecular Properties

Compound Name1,3-diphenylpyrazole
PubChem CID613284
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name1,3-diphenylpyrazole
SMILESc1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12N2/c1-3-7-13(8-4-1)15-11-12-17(16-15)14-9-5-2-6-10-14/h1-12H
InChIKeyLQUBXCVRJZGBLM-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpyrazole?
The IUPAC name of 1,3-diphenylpyrazole (CID 613284) is 1,3-diphenylpyrazole.
What is the SMILES notation for 1,3-diphenylpyrazole?
The canonical SMILES for 1,3-diphenylpyrazole is c1ccc(-c2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of 1,3-diphenylpyrazole?
The InChIKey is LQUBXCVRJZGBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-3-7-13(8-4-1)15-11-12-17(16-15)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,3-diphenylpyrazole?
1,3-diphenylpyrazole has a molecular weight of 220.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrazole is sourced from PubChem (CID 613284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).