4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole

C10H10BrF3N4 — CID 166491061

IUPAC4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole
SMILESCCn1cc(-c2c(Br)cnn2C)c(C(F)(F)F)n1
InChIInChI=1S/C10H10BrF3N4/c1-3-18-5-6(9(16-18)10(12,13)14)8-7(11)4-15-17(8)2/h4-5H,3H2,1-2H3
InChIKeyZUHQGSCTQGVVKF-UHFFFAOYSA-N
MW323.12 g/mol
LogP3.08
Rot. Bonds2

About 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole

4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole (PubChem CID 166491061) has the molecular formula C10H10BrF3N4 and a molecular weight of 323.12 g/mol. Its IUPAC name is 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole
PubChem CID166491061
Molecular FormulaC10H10BrF3N4
Molecular Weight323.12 g/mol
Exact Mass322.00
IUPAC Name4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole
SMILESCCn1cc(-c2c(Br)cnn2C)c(C(F)(F)F)n1
InChIInChI=1S/C10H10BrF3N4/c1-3-18-5-6(9(16-18)10(12,13)14)8-7(11)4-15-17(8)2/h4-5H,3H2,1-2H3
InChIKeyZUHQGSCTQGVVKF-UHFFFAOYSA-N
XLogP3.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole?
The IUPAC name of 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole (CID 166491061) is 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole is CCn1cc(-c2c(Br)cnn2C)c(C(F)(F)F)n1.
What is the InChIKey of 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole?
The InChIKey is ZUHQGSCTQGVVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N4/c1-3-18-5-6(9(16-18)10(12,13)14)8-7(11)4-15-17(8)2/h4-5H,3H2,1-2H3.
What are the key properties of 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole?
4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole has a molecular weight of 323.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazole is sourced from PubChem (CID 166491061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).