5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole

C6H6BrF3N2 — CID 12061635

IUPAC5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H6BrF3N2/c1-2-12-5(7)3-4(11-12)6(8,9)10/h3H,2H2,1H3
InChIKeyMEAAGPIWMGFWGJ-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.68
Rot. Bonds1

About 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole

5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 12061635) has the molecular formula C6H6BrF3N2 and a molecular weight of 243.03 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID12061635
Molecular FormulaC6H6BrF3N2
Molecular Weight243.03 g/mol
Exact Mass241.97
IUPAC Name5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H6BrF3N2/c1-2-12-5(7)3-4(11-12)6(8,9)10/h3H,2H2,1H3
InChIKeyMEAAGPIWMGFWGJ-UHFFFAOYSA-N
XLogP2.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1,3-dimethyl-1H-pyrazole
CID 21724031
5-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12035665
3-Bromo-1,5-dimethyl-1H-pyrazole
CID 21724046
3-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 105486135
4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrazole
CID 51000270
1H-Pyrazole, 3-bromo-5-methyl-1-(1-methylethyl)-
CID 66509449
5-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 84661821
5-iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 86208055
3-bromo-1-methyl-1H-pyrazole-5-carbonitrile
CID 89914907
5-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole
CID 118270534
1-ethyl-5-iodo-3-(trifluoromethyl)-1H-pyrazole
CID 119053457
4-Bromo-5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 132586132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole (CID 12061635) is 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1Br.
What is the InChIKey of 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is MEAAGPIWMGFWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2/c1-2-12-5(7)3-4(11-12)6(8,9)10/h3H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole?
5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 243.03 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 12061635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).