4-bromo-1-(4-bromophenyl)pyrazole

C9H6Br2N2 — CID 15940041

IUPAC4-bromo-1-(4-bromophenyl)pyrazole
SMILESBrc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C9H6Br2N2/c10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h1-6H
InChIKeyLERICYYDNPUVOM-UHFFFAOYSA-N
MW301.97 g/mol
LogP3.40
Rot. Bonds1

About 4-bromo-1-(4-bromophenyl)pyrazole

4-bromo-1-(4-bromophenyl)pyrazole (PubChem CID 15940041) has the molecular formula C9H6Br2N2 and a molecular weight of 301.97 g/mol. Its IUPAC name is 4-bromo-1-(4-bromophenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(4-bromophenyl)pyrazole
PubChem CID15940041
Molecular FormulaC9H6Br2N2
Molecular Weight301.97 g/mol
Exact Mass299.89
IUPAC Name4-bromo-1-(4-bromophenyl)pyrazole
SMILESBrc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C9H6Br2N2/c10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h1-6H
InChIKeyLERICYYDNPUVOM-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.97
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromophenyl)pyrazole-4-carboxylic acid
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4-(4-bromopyrazol-1-yl)-N-methylbenzamide
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1-bromo-4-(4-bromopyrazol-1-yl)pyrazole
CID 102044322

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromophenyl)pyrazole?
The IUPAC name of 4-bromo-1-(4-bromophenyl)pyrazole (CID 15940041) is 4-bromo-1-(4-bromophenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(4-bromophenyl)pyrazole?
The canonical SMILES for 4-bromo-1-(4-bromophenyl)pyrazole is Brc1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-bromo-1-(4-bromophenyl)pyrazole?
The InChIKey is LERICYYDNPUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2/c10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h1-6H.
What are the key properties of 4-bromo-1-(4-bromophenyl)pyrazole?
4-bromo-1-(4-bromophenyl)pyrazole has a molecular weight of 301.97 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromophenyl)pyrazole is sourced from PubChem (CID 15940041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).