4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole

C6H7BrF2N2 — CID 2396986

IUPAC4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole
SMILESCc1nn(C(F)F)c(C)c1Br
InChIInChI=1S/C6H7BrF2N2/c1-3-5(7)4(2)11(10-3)6(8)9/h6H,1-2H3
InChIKeyZVKCFFWWIKLQLN-UHFFFAOYSA-N
MW225.04 g/mol
LogP2.66
Rot. Bonds1

About 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole

4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole (PubChem CID 2396986) has the molecular formula C6H7BrF2N2 and a molecular weight of 225.04 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole
PubChem CID2396986
Molecular FormulaC6H7BrF2N2
Molecular Weight225.04 g/mol
Exact Mass223.98
IUPAC Name4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole
SMILESCc1nn(C(F)F)c(C)c1Br
InChIInChI=1S/C6H7BrF2N2/c1-3-5(7)4(2)11(10-3)6(8)9/h6H,1-2H3
InChIKeyZVKCFFWWIKLQLN-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole (CID 2396986) is 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole is Cc1nn(C(F)F)c(C)c1Br.
What is the InChIKey of 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole?
The InChIKey is ZVKCFFWWIKLQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2/c1-3-5(7)4(2)11(10-3)6(8)9/h6H,1-2H3.
What are the key properties of 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole?
4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole has a molecular weight of 225.04 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 2396986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).