2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine

C24H13Br2F3N4O — CID 19583785

IUPAC2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(-n2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)n1
InChIInChI=1S/C24H13Br2F3N4O/c25-16-6-1-4-14(10-16)18-12-20(15-5-2-7-17(26)11-15)33(32-18)23-30-19(21-8-3-9-34-21)13-22(31-23)24(27,28)29/h1-13H
InChIKeyIWESMEIXONXGNE-UHFFFAOYSA-N
MW590.20 g/mol
LogP7.80
Rot. Bonds4

About 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine

2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 19583785) has the molecular formula C24H13Br2F3N4O and a molecular weight of 590.20 g/mol. Its IUPAC name is 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID19583785
Molecular FormulaC24H13Br2F3N4O
Molecular Weight590.20 g/mol
Exact Mass587.94
IUPAC Name2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(-n2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)n1
InChIInChI=1S/C24H13Br2F3N4O/c25-16-6-1-4-14(10-16)18-12-20(15-5-2-7-17(26)11-15)33(32-18)23-30-19(21-8-3-9-34-21)13-22(31-23)24(27,28)29/h1-13H
InChIKeyIWESMEIXONXGNE-UHFFFAOYSA-N
XLogP7.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.20
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine (CID 19583785) is 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccco2)nc(-n2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)n1.
What is the InChIKey of 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is IWESMEIXONXGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Br2F3N4O/c25-16-6-1-4-14(10-16)18-12-20(15-5-2-7-17(26)11-15)33(32-18)23-30-19(21-8-3-9-34-21)13-22(31-23)24(27,28)29/h1-13H.
What are the key properties of 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 590.20 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19583785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).