5-bromo-3-(difluoromethyl)-1-methylpyrazole

C5H5BrF2N2 — CID 118270534

IUPAC5-bromo-3-(difluoromethyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1Br
InChIInChI=1S/C5H5BrF2N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3
InChIKeyWDLWCHPUZGWOIA-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.12
Rot. Bonds1

About 5-bromo-3-(difluoromethyl)-1-methylpyrazole

5-bromo-3-(difluoromethyl)-1-methylpyrazole (PubChem CID 118270534) has the molecular formula C5H5BrF2N2 and a molecular weight of 211.01 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-1-methylpyrazole
PubChem CID118270534
Molecular FormulaC5H5BrF2N2
Molecular Weight211.01 g/mol
Exact Mass209.96
IUPAC Name5-bromo-3-(difluoromethyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1Br
InChIInChI=1S/C5H5BrF2N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3
InChIKeyWDLWCHPUZGWOIA-UHFFFAOYSA-N
XLogP2.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dibromo-1,5-dimethylpyrazole
CID 911172
5-Bromo-1,3-dimethyl-1H-pyrazole
CID 21724031
5-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12035665
5-bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 12061635
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
3-Bromo-1,5-dimethyl-1H-pyrazole
CID 21724046
1H-Pyrazole, 5-fluoro-1,3-dimethyl-
CID 66974728
3-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 105486135
4,5-Dibromo-1,3-dimethyl-1H-pyrazole
CID 5142908
1H-Pyrazole, 3-bromo-5-methyl-1-(1-methylethyl)-
CID 66509449
5-(bromomethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 68964978
4-bromo-5-fluoro-1,3-dimethyl-1H-pyrazole
CID 71833020

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-1-methylpyrazole?
The IUPAC name of 5-bromo-3-(difluoromethyl)-1-methylpyrazole (CID 118270534) is 5-bromo-3-(difluoromethyl)-1-methylpyrazole.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-1-methylpyrazole?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-1-methylpyrazole is Cn1nc(C(F)F)cc1Br.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-1-methylpyrazole?
The InChIKey is WDLWCHPUZGWOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2/c1-10-4(6)2-3(9-10)5(7)8/h2,5H,1H3.
What are the key properties of 5-bromo-3-(difluoromethyl)-1-methylpyrazole?
5-bromo-3-(difluoromethyl)-1-methylpyrazole has a molecular weight of 211.01 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-1-methylpyrazole is sourced from PubChem (CID 118270534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).