2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol

C18H17FN2O2 — CID 1485523

IUPAC2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(-c2ccccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN2O2/c19-15-7-5-14(6-8-15)13-23-18-4-2-1-3-16(18)17-9-10-21(20-17)11-12-22/h1-10,22H,11-13H2
InChIKeyLFMFITOEASTBBM-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.26
Rot. Bonds6

About 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol

2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol (PubChem CID 1485523) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
PubChem CID1485523
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(-c2ccccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN2O2/c19-15-7-5-14(6-8-15)13-23-18-4-2-1-3-16(18)17-9-10-21(20-17)11-12-22/h1-10,22H,11-13H2
InChIKeyLFMFITOEASTBBM-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol (CID 1485523) is 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol is OCCn1ccc(-c2ccccc2OCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol?
The InChIKey is LFMFITOEASTBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-7-5-14(6-8-15)13-23-18-4-2-1-3-16(18)17-9-10-21(20-17)11-12-22/h1-10,22H,11-13H2.
What are the key properties of 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol?
2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 312.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 1485523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).