4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol

C15H10ClFN2O — CID 936511

IUPAC4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C15H10ClFN2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19)
InChIKeySTPYOHBKUACBHJ-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.24
Rot. Bonds2

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

4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 936511) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
PubChem CID936511
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C15H10ClFN2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19)
InChIKeySTPYOHBKUACBHJ-UHFFFAOYSA-N
XLogP4.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-(1H-pyrazol-3-yl)phenol
CID 87756
Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
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-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 690720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol (CID 936511) is 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol is Oc1ccc(Cl)cc1-c1cc(-c2ccccc2F)[nH]n1.
What is the InChIKey of 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is STPYOHBKUACBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19).
What are the key properties of 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 288.71 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 936511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).