4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole

C12H11BrClFN2 — CID 103049337

IUPAC4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2cc(Cl)ccc2F)c(C)c1Br
InChIInChI=1S/C12H11BrClFN2/c1-7-12(13)8(2)17(16-7)6-9-5-10(14)3-4-11(9)15/h3-5H,6H2,1-2H3
InChIKeyILEZEIUWHUKXGY-UHFFFAOYSA-N
MW317.59 g/mol
LogP4.10
Rot. Bonds2

About 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole

4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole (PubChem CID 103049337) has the molecular formula C12H11BrClFN2 and a molecular weight of 317.59 g/mol. Its IUPAC name is 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole
PubChem CID103049337
Molecular FormulaC12H11BrClFN2
Molecular Weight317.59 g/mol
Exact Mass315.98
IUPAC Name4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2cc(Cl)ccc2F)c(C)c1Br
InChIInChI=1S/C12H11BrClFN2/c1-7-12(13)8(2)17(16-7)6-9-5-10(14)3-4-11(9)15/h3-5H,6H2,1-2H3
InChIKeyILEZEIUWHUKXGY-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole (CID 103049337) is 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole is Cc1nn(Cc2cc(Cl)ccc2F)c(C)c1Br.
What is the InChIKey of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole?
The InChIKey is ILEZEIUWHUKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2/c1-7-12(13)8(2)17(16-7)6-9-5-10(14)3-4-11(9)15/h3-5H,6H2,1-2H3.
What are the key properties of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole?
4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole has a molecular weight of 317.59 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 103049337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).