3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol

C15H10ClFN2O — CID 170556870

IUPAC3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol
SMILESOc1c(-c2ccc(Cl)cc2)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O/c16-11-5-1-9(2-6-11)13-15(20)14(19-18-13)10-3-7-12(17)8-4-10/h1-8,20H,(H,18,19)
InChIKeySTBOBJYEGGOJEG-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.24
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol

3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol (PubChem CID 170556870) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol
PubChem CID170556870
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol
SMILESOc1c(-c2ccc(Cl)cc2)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O/c16-11-5-1-9(2-6-11)13-15(20)14(19-18-13)10-3-7-12(17)8-4-10/h1-8,20H,(H,18,19)
InChIKeySTBOBJYEGGOJEG-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 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol (CID 170556870) is 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol is Oc1c(-c2ccc(Cl)cc2)n[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol?
The InChIKey is STBOBJYEGGOJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-11-5-1-9(2-6-11)13-15(20)14(19-18-13)10-3-7-12(17)8-4-10/h1-8,20H,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol?
3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol 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 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol is sourced from PubChem (CID 170556870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).