4-bromo-1,3-dimethylpyrazole

C5H7BrN2 — CID 12615416

IUPAC4-bromo-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1Br
InChIInChI=1S/C5H7BrN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChIKeyUESOBPUTZLYSGI-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.49
Rot. Bonds

About 4-bromo-1,3-dimethylpyrazole

4-bromo-1,3-dimethylpyrazole (PubChem CID 12615416) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 4-bromo-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1,3-dimethylpyrazole
PubChem CID12615416
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name4-bromo-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1Br
InChIInChI=1S/C5H7BrN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChIKeyUESOBPUTZLYSGI-UHFFFAOYSA-N
XLogP1.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-1,3-dimethylpyrazole (CID 12615416) is 4-bromo-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-1,3-dimethylpyrazole is Cc1nn(C)cc1Br.
What is the InChIKey of 4-bromo-1,3-dimethylpyrazole?
The InChIKey is UESOBPUTZLYSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3.
What are the key properties of 4-bromo-1,3-dimethylpyrazole?
4-bromo-1,3-dimethylpyrazole has a molecular weight of 175.03 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethylpyrazole is sourced from PubChem (CID 12615416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).