1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol

C17H16BrF3N4O — CID 164718821

IUPAC1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br
InChIInChI=1S/C17H16BrF3N4O/c1-10(26)14-6-12(19)2-3-13(14)17-22-4-5-24(17)8-11-7-23-25(16(11)18)9-15(20)21/h2-7,10,15,26H,8-9H2,1H3
InChIKeyBFNNPAKPJPTDGQ-UHFFFAOYSA-N
MW429.24 g/mol
LogP4.01
Rot. Bonds6

About 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol

1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol (PubChem CID 164718821) has the molecular formula C17H16BrF3N4O and a molecular weight of 429.24 g/mol. Its IUPAC name is 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol
PubChem CID164718821
Molecular FormulaC17H16BrF3N4O
Molecular Weight429.24 g/mol
Exact Mass428.05
IUPAC Name1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br
InChIInChI=1S/C17H16BrF3N4O/c1-10(26)14-6-12(19)2-3-13(14)17-22-4-5-24(17)8-11-7-23-25(16(11)18)9-15(20)21/h2-7,10,15,26H,8-9H2,1H3
InChIKeyBFNNPAKPJPTDGQ-UHFFFAOYSA-N
XLogP4.01
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol 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 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol (CID 164718821) is 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br.
What is the InChIKey of 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol?
The InChIKey is BFNNPAKPJPTDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N4O/c1-10(26)14-6-12(19)2-3-13(14)17-22-4-5-24(17)8-11-7-23-25(16(11)18)9-15(20)21/h2-7,10,15,26H,8-9H2,1H3.
What are the key properties of 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol?
1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol has a molecular weight of 429.24 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164718821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).