1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol

C18H14Cl2F2N2O — CID 174693083

IUPAC1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCc1[nH]nc(-c2c(Cl)cccc2Cl)c1C(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C18H14Cl2F2N2O/c1-9-16(18(2,25)11-7-6-10(21)8-14(11)22)17(24-23-9)15-12(19)4-3-5-13(15)20/h3-8,25H,1-2H3,(H,23,24)
InChIKeySDMFKCQZNJPKMA-UHFFFAOYSA-N
MW383.23 g/mol
LogP5.23
Rot. Bonds3

About 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol

1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol (PubChem CID 174693083) has the molecular formula C18H14Cl2F2N2O and a molecular weight of 383.23 g/mol. Its IUPAC name is 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
PubChem CID174693083
Molecular FormulaC18H14Cl2F2N2O
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Name1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCc1[nH]nc(-c2c(Cl)cccc2Cl)c1C(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C18H14Cl2F2N2O/c1-9-16(18(2,25)11-7-6-10(21)8-14(11)22)17(24-23-9)15-12(19)4-3-5-13(15)20/h3-8,25H,1-2H3,(H,23,24)
InChIKeySDMFKCQZNJPKMA-UHFFFAOYSA-N
XLogP5.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
CID 59694381
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
CID 118484799
2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol
CID 151802495
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-fluorophenol
CID 155106353
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-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174657979
1-(2,4-difluorophenyl)-1-[3-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol
CID 174693163
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
1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol
CID 175280172

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol (CID 174693083) is 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol is Cc1[nH]nc(-c2c(Cl)cccc2Cl)c1C(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is SDMFKCQZNJPKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N2O/c1-9-16(18(2,25)11-7-6-10(21)8-14(11)22)17(24-23-9)15-12(19)4-3-5-13(15)20/h3-8,25H,1-2H3,(H,23,24).
What are the key properties of 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 383.23 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 174693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).