2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol

C18H17FN2O — CID 67384996

IUPAC2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
SMILESCc1ccc(-c2n[nH]c(CCO)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H17FN2O/c1-12-7-8-14(15(19)11-12)18-17(13-5-3-2-4-6-13)16(9-10-22)20-21-18/h2-8,11,22H,9-10H2,1H3,(H,20,21)
InChIKeyBLLWPQWMCARSTP-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.73
Rot. Bonds4

About 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol

2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol (PubChem CID 67384996) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
PubChem CID67384996
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
SMILESCc1ccc(-c2n[nH]c(CCO)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H17FN2O/c1-12-7-8-14(15(19)11-12)18-17(13-5-3-2-4-6-13)16(9-10-22)20-21-18/h2-8,11,22H,9-10H2,1H3,(H,20,21)
InChIKeyBLLWPQWMCARSTP-UHFFFAOYSA-N
XLogP3.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol (CID 67384996) is 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol is Cc1ccc(-c2n[nH]c(CCO)c2-c2ccccc2)c(F)c1.
What is the InChIKey of 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
The InChIKey is BLLWPQWMCARSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-7-8-14(15(19)11-12)18-17(13-5-3-2-4-6-13)16(9-10-22)20-21-18/h2-8,11,22H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol has a molecular weight of 296.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 67384996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).