(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol

C16H21FN2O — CID 82694994

IUPAC(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol
SMILESCCc1cc(CC)n(-c2cc(C)c(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C16H21FN2O/c1-5-12-8-13(6-2)19(18-12)16-7-10(3)15(17)9-14(16)11(4)20/h7-9,11,20H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyROLUULSQTRFFRK-LLVKDONJSA-N
MW276.36 g/mol
LogP3.50
Rot. Bonds4

About (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol

(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol (PubChem CID 82694994) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol
PubChem CID82694994
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol
SMILESCCc1cc(CC)n(-c2cc(C)c(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C16H21FN2O/c1-5-12-8-13(6-2)19(18-12)16-7-10(3)15(17)9-14(16)11(4)20/h7-9,11,20H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyROLUULSQTRFFRK-LLVKDONJSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol (CID 82694994) is (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol is CCc1cc(CC)n(-c2cc(C)c(F)cc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is ROLUULSQTRFFRK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-5-12-8-13(6-2)19(18-12)16-7-10(3)15(17)9-14(16)11(4)20/h7-9,11,20H,5-6H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol?
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 276.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 82694994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).