1,3-bis(4-bromophenyl)pyrazole

C15H10Br2N2 — CID 174923540

IUPAC1,3-bis(4-bromophenyl)pyrazole
SMILESBrc1ccc(-c2ccn(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H10Br2N2/c16-12-3-1-11(2-4-12)15-9-10-19(18-15)14-7-5-13(17)6-8-14/h1-10H
InChIKeyVSGLBOINSARLTQ-UHFFFAOYSA-N
MW378.07 g/mol
LogP5.06
Rot. Bonds2

About 1,3-bis(4-bromophenyl)pyrazole

1,3-bis(4-bromophenyl)pyrazole (PubChem CID 174923540) has the molecular formula C15H10Br2N2 and a molecular weight of 378.07 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)pyrazole.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)pyrazole
PubChem CID174923540
Molecular FormulaC15H10Br2N2
Molecular Weight378.07 g/mol
Exact Mass375.92
IUPAC Name1,3-bis(4-bromophenyl)pyrazole
SMILESBrc1ccc(-c2ccn(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H10Br2N2/c16-12-3-1-11(2-4-12)15-9-10-19(18-15)14-7-5-13(17)6-8-14/h1-10H
InChIKeyVSGLBOINSARLTQ-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.07
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-bis(4-methylphenyl)pyrazole
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N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
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3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzonitrile
CID 135066075
3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 67758071
3-[4-(4-fluorophenoxy)phenyl]-1-phenylpyrazole
CID 97182242
1-(3,4-dimethylphenyl)-3-phenylpyrazole
CID 135064908
N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide
CID 172876440
1-(4-bromophenyl)pyrazole
CID 10443564
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
1-(4-bromophenyl)triazole
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)pyrazole?
The IUPAC name of 1,3-bis(4-bromophenyl)pyrazole (CID 174923540) is 1,3-bis(4-bromophenyl)pyrazole.
What is the SMILES notation for 1,3-bis(4-bromophenyl)pyrazole?
The canonical SMILES for 1,3-bis(4-bromophenyl)pyrazole is Brc1ccc(-c2ccn(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)pyrazole?
The InChIKey is VSGLBOINSARLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2/c16-12-3-1-11(2-4-12)15-9-10-19(18-15)14-7-5-13(17)6-8-14/h1-10H.
What are the key properties of 1,3-bis(4-bromophenyl)pyrazole?
1,3-bis(4-bromophenyl)pyrazole has a molecular weight of 378.07 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)pyrazole is sourced from PubChem (CID 174923540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).