4-bromo-5-chloro-1,3-dimethylpyrazole

C5H6BrClN2 — CID 19744223

IUPAC4-bromo-5-chloro-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Cl)c1Br
InChIInChI=1S/C5H6BrClN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyQKIJYRSHMYOVEV-UHFFFAOYSA-N
MW209.47 g/mol
LogP2.14
Rot. Bonds

About 4-bromo-5-chloro-1,3-dimethylpyrazole

4-bromo-5-chloro-1,3-dimethylpyrazole (PubChem CID 19744223) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is 4-bromo-5-chloro-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-chloro-1,3-dimethylpyrazole
PubChem CID19744223
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Name4-bromo-5-chloro-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Cl)c1Br
InChIInChI=1S/C5H6BrClN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyQKIJYRSHMYOVEV-UHFFFAOYSA-N
XLogP2.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dibromo-1,5-dimethylpyrazole
CID 911172
4-bromo-5-fluoro-1,3-dimethyl-1H-pyrazole
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4-bromo-5-iodo-1,3-dimethyl-1H-pyrazole
CID 86114118
4,5-Dibromo-1,3-dimethyl-1H-pyrazole
CID 5142908
4-bromo-5-(chloromethyl)-1,3-dimethyl-1H-pyrazole
CID 131217519
4-bromo-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole
CID 131510509
4-Bromo-5-chloro-3-(chloromethyl)-1-methyl-1H-pyrazole
CID 137951912
(4-bromo-5-chloro-1-methyl-1H-pyrazol-3-yl)methanamine hydrochloride
CID 137952160
5-chloro-1,3,4-trimethyl-1H-pyrazole
CID 21766262
1,5-Dimethyl-3,4-dichloropyrazole
CID 23392053
4-bromomethyl-5-chloro-1-methyl-3-trifluoromethyl-1H-pyrazole
CID 11425907
4-bromomethyl-5-chloro-3-difluoromethyl-1-methyl-1H-pyrazole
CID 17862858

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-chloro-1,3-dimethylpyrazole (CID 19744223) is 4-bromo-5-chloro-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-chloro-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-chloro-1,3-dimethylpyrazole is Cc1nn(C)c(Cl)c1Br.
What is the InChIKey of 4-bromo-5-chloro-1,3-dimethylpyrazole?
The InChIKey is QKIJYRSHMYOVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3.
What are the key properties of 4-bromo-5-chloro-1,3-dimethylpyrazole?
4-bromo-5-chloro-1,3-dimethylpyrazole has a molecular weight of 209.47 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1,3-dimethylpyrazole is sourced from PubChem (CID 19744223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).