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

C18H17FN2O — CID 67388747

IUPAC1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
SMILESCc1ccc(-c2n[nH]c(C(C)O)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H17FN2O/c1-11-8-9-14(15(19)10-11)18-16(13-6-4-3-5-7-13)17(12(2)22)20-21-18/h3-10,12,22H,1-2H3,(H,20,21)
InChIKeyOLNZKIIMRDSBFT-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.24
Rot. Bonds3

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

1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol (PubChem CID 67388747) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
PubChem CID67388747
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
SMILESCc1ccc(-c2n[nH]c(C(C)O)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H17FN2O/c1-11-8-9-14(15(19)10-11)18-16(13-6-4-3-5-7-13)17(12(2)22)20-21-18/h3-10,12,22H,1-2H3,(H,20,21)
InChIKeyOLNZKIIMRDSBFT-UHFFFAOYSA-N
XLogP4.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol (CID 67388747) is 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol is Cc1ccc(-c2n[nH]c(C(C)O)c2-c2ccccc2)c(F)c1.
What is the InChIKey of 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
The InChIKey is OLNZKIIMRDSBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11-8-9-14(15(19)10-11)18-16(13-6-4-3-5-7-13)17(12(2)22)20-21-18/h3-10,12,22H,1-2H3,(H,20,21).
What are the key properties of 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol?
1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol has a molecular weight of 296.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 67388747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).