4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C9H12BrF3N2 — CID 90162041

IUPAC4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(Br)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H12BrF3N2/c1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h5H,4H2,1-3H3
InChIKeyHVNBELVZGLFOJI-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.81
Rot. Bonds2

About 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162041) has the molecular formula C9H12BrF3N2 and a molecular weight of 285.11 g/mol. Its IUPAC name is 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162041
Molecular FormulaC9H12BrF3N2
Molecular Weight285.11 g/mol
Exact Mass284.01
IUPAC Name4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(Br)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H12BrF3N2/c1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h5H,4H2,1-3H3
InChIKeyHVNBELVZGLFOJI-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162041) is 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CCc1c(Br)c(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is HVNBELVZGLFOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF3N2/c1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h5H,4H2,1-3H3.
What are the key properties of 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 285.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).