6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol

C24H20ClFN2O — CID 175772638

IUPAC6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol
SMILESCCc1c(-c2ccccc2)nn(Cc2ccc(Cl)c(O)c2F)c1-c1ccccc1
InChIInChI=1S/C24H20ClFN2O/c1-2-19-22(16-9-5-3-6-10-16)27-28(23(19)17-11-7-4-8-12-17)15-18-13-14-20(25)24(29)21(18)26/h3-14,29H,2,15H2,1H3
InChIKeyFPKFPIGGBYVHCI-UHFFFAOYSA-N
MW406.89 g/mol
LogP6.33
Rot. Bonds5

About 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol

6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol (PubChem CID 175772638) has the molecular formula C24H20ClFN2O and a molecular weight of 406.89 g/mol. Its IUPAC name is 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol.

Molecular Properties

Compound Name6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol
PubChem CID175772638
Molecular FormulaC24H20ClFN2O
Molecular Weight406.89 g/mol
Exact Mass406.12
IUPAC Name6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol
SMILESCCc1c(-c2ccccc2)nn(Cc2ccc(Cl)c(O)c2F)c1-c1ccccc1
InChIInChI=1S/C24H20ClFN2O/c1-2-19-22(16-9-5-3-6-10-16)27-28(23(19)17-11-7-4-8-12-17)15-18-13-14-20(25)24(29)21(18)26/h3-14,29H,2,15H2,1H3
InChIKeyFPKFPIGGBYVHCI-UHFFFAOYSA-N
XLogP6.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol?
The IUPAC name of 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol (CID 175772638) is 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol.
What is the SMILES notation for 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol?
The canonical SMILES for 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol is CCc1c(-c2ccccc2)nn(Cc2ccc(Cl)c(O)c2F)c1-c1ccccc1.
What is the InChIKey of 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol?
The InChIKey is FPKFPIGGBYVHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O/c1-2-19-22(16-9-5-3-6-10-16)27-28(23(19)17-11-7-4-8-12-17)15-18-13-14-20(25)24(29)21(18)26/h3-14,29H,2,15H2,1H3.
What are the key properties of 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol?
6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol has a molecular weight of 406.89 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol is sourced from PubChem (CID 175772638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).