4-bromo-3-(difluoromethyl)-1-ethylpyrazole

C6H7BrF2N2 — CID 122171505

IUPAC4-bromo-3-(difluoromethyl)-1-ethylpyrazole
SMILESCCn1cc(Br)c(C(F)F)n1
InChIInChI=1S/C6H7BrF2N2/c1-2-11-3-4(7)5(10-11)6(8)9/h3,6H,2H2,1H3
InChIKeyIFZCIQZBGSLMGY-UHFFFAOYSA-N
MW225.04 g/mol
LogP2.60
Rot. Bonds2

About 4-bromo-3-(difluoromethyl)-1-ethylpyrazole

4-bromo-3-(difluoromethyl)-1-ethylpyrazole (PubChem CID 122171505) has the molecular formula C6H7BrF2N2 and a molecular weight of 225.04 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-1-ethylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-1-ethylpyrazole
PubChem CID122171505
Molecular FormulaC6H7BrF2N2
Molecular Weight225.04 g/mol
Exact Mass223.98
IUPAC Name4-bromo-3-(difluoromethyl)-1-ethylpyrazole
SMILESCCn1cc(Br)c(C(F)F)n1
InChIInChI=1S/C6H7BrF2N2/c1-2-11-3-4(7)5(10-11)6(8)9/h3,6H,2H2,1H3
InChIKeyIFZCIQZBGSLMGY-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-1-ethylpyrazole?
The IUPAC name of 4-bromo-3-(difluoromethyl)-1-ethylpyrazole (CID 122171505) is 4-bromo-3-(difluoromethyl)-1-ethylpyrazole.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-1-ethylpyrazole?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-1-ethylpyrazole is CCn1cc(Br)c(C(F)F)n1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-1-ethylpyrazole?
The InChIKey is IFZCIQZBGSLMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2/c1-2-11-3-4(7)5(10-11)6(8)9/h3,6H,2H2,1H3.
What are the key properties of 4-bromo-3-(difluoromethyl)-1-ethylpyrazole?
4-bromo-3-(difluoromethyl)-1-ethylpyrazole has a molecular weight of 225.04 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-1-ethylpyrazole is sourced from PubChem (CID 122171505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).