2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol

C19H19FN2O — CID 22244631

IUPAC2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol
SMILESCc1nn(-c2ccc(CCO)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-13-19(16-5-7-17(20)8-6-16)14(2)22(21-13)18-9-3-15(4-10-18)11-12-23/h3-10,23H,11-12H2,1-2H3
InChIKeyZXQSMGSINUYVJS-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.83
Rot. Bonds4

About 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol

2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol (PubChem CID 22244631) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol
PubChem CID22244631
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol
SMILESCc1nn(-c2ccc(CCO)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-13-19(16-5-7-17(20)8-6-16)14(2)22(21-13)18-9-3-15(4-10-18)11-12-23/h3-10,23H,11-12H2,1-2H3
InChIKeyZXQSMGSINUYVJS-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol (CID 22244631) is 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol is Cc1nn(-c2ccc(CCO)cc2)c(C)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol?
The InChIKey is ZXQSMGSINUYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-19(16-5-7-17(20)8-6-16)14(2)22(21-13)18-9-3-15(4-10-18)11-12-23/h3-10,23H,11-12H2,1-2H3.
What are the key properties of 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol?
2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol has a molecular weight of 310.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 22244631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).