5-bromo-1-(2,4-dichlorophenyl)pyrazole

C9H5BrCl2N2 — CID 79020409

IUPAC5-bromo-1-(2,4-dichlorophenyl)pyrazole
SMILESClc1ccc(-n2nccc2Br)c(Cl)c1
InChIInChI=1S/C9H5BrCl2N2/c10-9-3-4-13-14(9)8-2-1-6(11)5-7(8)12/h1-5H
InChIKeyHJTLFDFHZPTPNT-UHFFFAOYSA-N
MW291.96 g/mol
LogP3.94
Rot. Bonds1

About 5-bromo-1-(2,4-dichlorophenyl)pyrazole

5-bromo-1-(2,4-dichlorophenyl)pyrazole (PubChem CID 79020409) has the molecular formula C9H5BrCl2N2 and a molecular weight of 291.96 g/mol. Its IUPAC name is 5-bromo-1-(2,4-dichlorophenyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(2,4-dichlorophenyl)pyrazole
PubChem CID79020409
Molecular FormulaC9H5BrCl2N2
Molecular Weight291.96 g/mol
Exact Mass289.90
IUPAC Name5-bromo-1-(2,4-dichlorophenyl)pyrazole
SMILESClc1ccc(-n2nccc2Br)c(Cl)c1
InChIInChI=1S/C9H5BrCl2N2/c10-9-3-4-13-14(9)8-2-1-6(11)5-7(8)12/h1-5H
InChIKeyHJTLFDFHZPTPNT-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.96
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,4-dichlorophenyl)pyrazole?
The IUPAC name of 5-bromo-1-(2,4-dichlorophenyl)pyrazole (CID 79020409) is 5-bromo-1-(2,4-dichlorophenyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(2,4-dichlorophenyl)pyrazole?
The canonical SMILES for 5-bromo-1-(2,4-dichlorophenyl)pyrazole is Clc1ccc(-n2nccc2Br)c(Cl)c1.
What is the InChIKey of 5-bromo-1-(2,4-dichlorophenyl)pyrazole?
The InChIKey is HJTLFDFHZPTPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2/c10-9-3-4-13-14(9)8-2-1-6(11)5-7(8)12/h1-5H.
What are the key properties of 5-bromo-1-(2,4-dichlorophenyl)pyrazole?
5-bromo-1-(2,4-dichlorophenyl)pyrazole has a molecular weight of 291.96 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,4-dichlorophenyl)pyrazole is sourced from PubChem (CID 79020409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).