4-bromo-3,5-dimethyl-1-phenylpyrazole

C11H11BrN2 — CID 7039162

IUPAC4-bromo-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1Br
InChIInChI=1S/C11H11BrN2/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyGNXWITGSOFQXDG-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.25
Rot. Bonds1

About 4-bromo-3,5-dimethyl-1-phenylpyrazole

4-bromo-3,5-dimethyl-1-phenylpyrazole (PubChem CID 7039162) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-1-phenylpyrazole
PubChem CID7039162
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name4-bromo-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1Br
InChIInChI=1S/C11H11BrN2/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyGNXWITGSOFQXDG-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-1-phenylpyrazole?
The IUPAC name of 4-bromo-3,5-dimethyl-1-phenylpyrazole (CID 7039162) is 4-bromo-3,5-dimethyl-1-phenylpyrazole.
What is the SMILES notation for 4-bromo-3,5-dimethyl-1-phenylpyrazole?
The canonical SMILES for 4-bromo-3,5-dimethyl-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-1-phenylpyrazole?
The InChIKey is GNXWITGSOFQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-1-phenylpyrazole?
4-bromo-3,5-dimethyl-1-phenylpyrazole has a molecular weight of 251.13 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-1-phenylpyrazole is sourced from PubChem (CID 7039162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).