5-(4-bromophenyl)-1,3-diphenylpyrazole

C21H15BrN2 — CID 11372268

IUPAC5-(4-bromophenyl)-1,3-diphenylpyrazole
SMILESBrc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H15BrN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-15H
InChIKeyDMLXPQUGDNOKAV-UHFFFAOYSA-N
MW375.27 g/mol
LogP5.97
Rot. Bonds3

About 5-(4-bromophenyl)-1,3-diphenylpyrazole

5-(4-bromophenyl)-1,3-diphenylpyrazole (PubChem CID 11372268) has the molecular formula C21H15BrN2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,3-diphenylpyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,3-diphenylpyrazole
PubChem CID11372268
Molecular FormulaC21H15BrN2
Molecular Weight375.27 g/mol
Exact Mass374.04
IUPAC Name5-(4-bromophenyl)-1,3-diphenylpyrazole
SMILESBrc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H15BrN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-15H
InChIKeyDMLXPQUGDNOKAV-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.27
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,3-diphenylpyrazole?
The IUPAC name of 5-(4-bromophenyl)-1,3-diphenylpyrazole (CID 11372268) is 5-(4-bromophenyl)-1,3-diphenylpyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-1,3-diphenylpyrazole?
The canonical SMILES for 5-(4-bromophenyl)-1,3-diphenylpyrazole is Brc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1,3-diphenylpyrazole?
The InChIKey is DMLXPQUGDNOKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-15H.
What are the key properties of 5-(4-bromophenyl)-1,3-diphenylpyrazole?
5-(4-bromophenyl)-1,3-diphenylpyrazole has a molecular weight of 375.27 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1,3-diphenylpyrazole is sourced from PubChem (CID 11372268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).