2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol

C15H10ClFN2O — CID 137031960

IUPAC2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1c(Cl)cccc1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H10ClFN2O/c16-12-3-1-2-11(15(12)20)14-8-13(18-19-14)9-4-6-10(17)7-5-9/h1-8,20H,(H,18,19)
InChIKeyIKUIVJRPRHTEHC-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.24
Rot. Bonds2

About 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol

2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 137031960) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol
PubChem CID137031960
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1c(Cl)cccc1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H10ClFN2O/c16-12-3-1-2-11(15(12)20)14-8-13(18-19-14)9-4-6-10(17)7-5-9/h1-8,20H,(H,18,19)
InChIKeyIKUIVJRPRHTEHC-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol (CID 137031960) is 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol is Oc1c(Cl)cccc1-c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is IKUIVJRPRHTEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-3-1-2-11(15(12)20)14-8-13(18-19-14)9-4-6-10(17)7-5-9/h1-8,20H,(H,18,19).
What are the key properties of 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol?
2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-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 2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 137031960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).