4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole

C8H8BrF3N2 — CID 85100558

IUPAC4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C=CBr)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H8BrF3N2/c1-5-6(3-4-9)7(8(10,11)12)13-14(5)2/h3-4H,1-2H3
InChIKeyOPPGPGYSPLIRRV-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.11
Rot. Bonds1

About 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole

4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 85100558) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID85100558
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C=CBr)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H8BrF3N2/c1-5-6(3-4-9)7(8(10,11)12)13-14(5)2/h3-4H,1-2H3
InChIKeyOPPGPGYSPLIRRV-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 85100558) is 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole is Cc1c(C=CBr)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is OPPGPGYSPLIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-5-6(3-4-9)7(8(10,11)12)13-14(5)2/h3-4H,1-2H3.
What are the key properties of 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 269.06 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 85100558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).