4-(2-bromo-4-phenylphenyl)-1H-pyrazole

C15H11BrN2 — CID 139298620

IUPAC4-(2-bromo-4-phenylphenyl)-1H-pyrazole
SMILESBrc1cc(-c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C15H11BrN2/c16-15-8-12(11-4-2-1-3-5-11)6-7-14(15)13-9-17-18-10-13/h1-10H,(H,17,18)
InChIKeyPALOUJVBFBIFIZ-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.51
Rot. Bonds2

About 4-(2-bromo-4-phenylphenyl)-1H-pyrazole

4-(2-bromo-4-phenylphenyl)-1H-pyrazole (PubChem CID 139298620) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-(2-bromo-4-phenylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-bromo-4-phenylphenyl)-1H-pyrazole
PubChem CID139298620
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name4-(2-bromo-4-phenylphenyl)-1H-pyrazole
SMILESBrc1cc(-c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C15H11BrN2/c16-15-8-12(11-4-2-1-3-5-11)6-7-14(15)13-9-17-18-10-13/h1-10H,(H,17,18)
InChIKeyPALOUJVBFBIFIZ-UHFFFAOYSA-N
XLogP4.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-phenylphenyl)-1H-pyrazole?
The IUPAC name of 4-(2-bromo-4-phenylphenyl)-1H-pyrazole (CID 139298620) is 4-(2-bromo-4-phenylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-bromo-4-phenylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(2-bromo-4-phenylphenyl)-1H-pyrazole is Brc1cc(-c2ccccc2)ccc1-c1cn[nH]c1.
What is the InChIKey of 4-(2-bromo-4-phenylphenyl)-1H-pyrazole?
The InChIKey is PALOUJVBFBIFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c16-15-8-12(11-4-2-1-3-5-11)6-7-14(15)13-9-17-18-10-13/h1-10H,(H,17,18).
What are the key properties of 4-(2-bromo-4-phenylphenyl)-1H-pyrazole?
4-(2-bromo-4-phenylphenyl)-1H-pyrazole has a molecular weight of 299.17 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-phenylphenyl)-1H-pyrazole is sourced from PubChem (CID 139298620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).