2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol

C21H14ClFN2O — CID 147912624

IUPAC2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)n[nH]1
InChIInChI=1S/C21H14ClFN2O/c22-16-7-5-14(6-8-16)13-1-3-15(4-2-13)19-12-20(25-24-19)18-11-17(23)9-10-21(18)26/h1-12,26H,(H,24,25)
InChIKeyIGKWJEFTVIJDIX-UHFFFAOYSA-N
MW364.81 g/mol
LogP5.91
Rot. Bonds3

About 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol

2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol (PubChem CID 147912624) has the molecular formula C21H14ClFN2O and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol
PubChem CID147912624
Molecular FormulaC21H14ClFN2O
Molecular Weight364.81 g/mol
Exact Mass364.08
IUPAC Name2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)n[nH]1
InChIInChI=1S/C21H14ClFN2O/c22-16-7-5-14(6-8-16)13-1-3-15(4-2-13)19-12-20(25-24-19)18-11-17(23)9-10-21(18)26/h1-12,26H,(H,24,25)
InChIKeyIGKWJEFTVIJDIX-UHFFFAOYSA-N
XLogP5.91
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.81
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
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2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-chloro-2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781244
4-bromo-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 932600
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
4-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol
CID 662991

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol?
The IUPAC name of 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol (CID 147912624) is 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol.
What is the SMILES notation for 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol?
The canonical SMILES for 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol is Oc1ccc(F)cc1-c1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)n[nH]1.
What is the InChIKey of 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol?
The InChIKey is IGKWJEFTVIJDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O/c22-16-7-5-14(6-8-16)13-1-3-15(4-2-13)19-12-20(25-24-19)18-11-17(23)9-10-21(18)26/h1-12,26H,(H,24,25).
What are the key properties of 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol?
2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol has a molecular weight of 364.81 g/mol, XLogP of 5.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol is sourced from PubChem (CID 147912624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).