1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole

C11H5BrF6N2 — CID 53475433

IUPAC1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H5BrF6N2/c12-6-1-3-7(4-2-6)20-9(11(16,17)18)5-8(19-20)10(13,14)15/h1-5H
InChIKeyGRVIGDGVNCBCIT-UHFFFAOYSA-N
MW359.07 g/mol
LogP4.67
Rot. Bonds1

About 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole

1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole (PubChem CID 53475433) has the molecular formula C11H5BrF6N2 and a molecular weight of 359.07 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole
PubChem CID53475433
Molecular FormulaC11H5BrF6N2
Molecular Weight359.07 g/mol
Exact Mass357.95
IUPAC Name1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H5BrF6N2/c12-6-1-3-7(4-2-6)20-9(11(16,17)18)5-8(19-20)10(13,14)15/h1-5H
InChIKeyGRVIGDGVNCBCIT-UHFFFAOYSA-N
XLogP4.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole (CID 53475433) is 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole is FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(Br)cc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole?
The InChIKey is GRVIGDGVNCBCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF6N2/c12-6-1-3-7(4-2-6)20-9(11(16,17)18)5-8(19-20)10(13,14)15/h1-5H.
What are the key properties of 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole?
1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole has a molecular weight of 359.07 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3,5-bis(trifluoromethyl)pyrazole is sourced from PubChem (CID 53475433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).