5-bromo-4-chloro-1-methylpyrazole

C4H4BrClN2 — CID 83382775

IUPAC5-bromo-4-chloro-1-methylpyrazole
SMILESCn1ncc(Cl)c1Br
InChIInChI=1S/C4H4BrClN2/c1-8-4(5)3(6)2-7-8/h2H,1H3
InChIKeyHXANFFNOZDWOAR-UHFFFAOYSA-N
MW195.45 g/mol
LogP1.84
Rot. Bonds

About 5-bromo-4-chloro-1-methylpyrazole

5-bromo-4-chloro-1-methylpyrazole (PubChem CID 83382775) has the molecular formula C4H4BrClN2 and a molecular weight of 195.45 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-methylpyrazole.

Molecular Properties

Compound Name5-bromo-4-chloro-1-methylpyrazole
PubChem CID83382775
Molecular FormulaC4H4BrClN2
Molecular Weight195.45 g/mol
Exact Mass193.92
IUPAC Name5-bromo-4-chloro-1-methylpyrazole
SMILESCn1ncc(Cl)c1Br
InChIInChI=1S/C4H4BrClN2/c1-8-4(5)3(6)2-7-8/h2H,1H3
InChIKeyHXANFFNOZDWOAR-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1-methylpyrazole?
The IUPAC name of 5-bromo-4-chloro-1-methylpyrazole (CID 83382775) is 5-bromo-4-chloro-1-methylpyrazole.
What is the SMILES notation for 5-bromo-4-chloro-1-methylpyrazole?
The canonical SMILES for 5-bromo-4-chloro-1-methylpyrazole is Cn1ncc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-1-methylpyrazole?
The InChIKey is HXANFFNOZDWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrClN2/c1-8-4(5)3(6)2-7-8/h2H,1H3.
What are the key properties of 5-bromo-4-chloro-1-methylpyrazole?
5-bromo-4-chloro-1-methylpyrazole has a molecular weight of 195.45 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-methylpyrazole is sourced from PubChem (CID 83382775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).