1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol

C18H14BrClF2N2O — CID 174657979

IUPAC1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
SMILESCc1[nH]nc(C(C)(O)c2ccc(F)cc2Br)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C18H14BrClF2N2O/c1-9-16(12-5-3-11(22)8-15(12)20)17(24-23-9)18(2,25)13-6-4-10(21)7-14(13)19/h3-8,25H,1-2H3,(H,23,24)
InChIKeyOLPXFABFOKWZPH-UHFFFAOYSA-N
MW427.68 g/mol
LogP5.34
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol

1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol (PubChem CID 174657979) has the molecular formula C18H14BrClF2N2O and a molecular weight of 427.68 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
PubChem CID174657979
Molecular FormulaC18H14BrClF2N2O
Molecular Weight427.68 g/mol
Exact Mass425.99
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
SMILESCc1[nH]nc(C(C)(O)c2ccc(F)cc2Br)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C18H14BrClF2N2O/c1-9-16(12-5-3-11(22)8-15(12)20)17(24-23-9)18(2,25)13-6-4-10(21)7-14(13)19/h3-8,25H,1-2H3,(H,23,24)
InChIKeyOLPXFABFOKWZPH-UHFFFAOYSA-N
XLogP5.34
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.68
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol with MolForge

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Related Compounds

(2-Bromo-4-fluorophenyl)-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol
CID 66613235
1-(4-chloro-2,6-difluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174646284
1-(2-chloro-4,6-difluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174657968
1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
CID 174693083
1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol
CID 174840562
1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol
CID 174841030
1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
CID 175278176
[5-(4-chlorophenyl)-1H-pyrazol-3-yl][bis(4-fluorophenyl)]methanol
CID 171986904
[3-(4-bromophenyl)-4-ethyl-1H-pyrazol-5-yl]-(2,4-dichlorophenyl)methanol
CID 69557041
[3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol
CID 91903038

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol (CID 174657979) is 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol is Cc1[nH]nc(C(C)(O)c2ccc(F)cc2Br)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol?
The InChIKey is OLPXFABFOKWZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClF2N2O/c1-9-16(12-5-3-11(22)8-15(12)20)17(24-23-9)18(2,25)13-6-4-10(21)7-14(13)19/h3-8,25H,1-2H3,(H,23,24).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol?
1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol has a molecular weight of 427.68 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol is sourced from PubChem (CID 174657979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).