4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole

C9H12BrF3N2 — CID 90162239

IUPAC4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(F)c1nn(C(C)C)c(C(F)F)c1Br
InChIInChI=1S/C9H12BrF3N2/c1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11/h4-5,9H,1-3H3
InChIKeyWSBSLDFCEOVOAY-UHFFFAOYSA-N
MW285.11 g/mol
LogP4.19
Rot. Bonds3

About 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole (PubChem CID 90162239) has the molecular formula C9H12BrF3N2 and a molecular weight of 285.11 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
PubChem CID90162239
Molecular FormulaC9H12BrF3N2
Molecular Weight285.11 g/mol
Exact Mass284.01
IUPAC Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(F)c1nn(C(C)C)c(C(F)F)c1Br
InChIInChI=1S/C9H12BrF3N2/c1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11/h4-5,9H,1-3H3
InChIKeyWSBSLDFCEOVOAY-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole (CID 90162239) is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole is CC(F)c1nn(C(C)C)c(C(F)F)c1Br.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The InChIKey is WSBSLDFCEOVOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF3N2/c1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11/h4-5,9H,1-3H3.
What are the key properties of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole has a molecular weight of 285.11 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).