(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol

C14H17FN2O — CID 78941320

IUPAC(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1nn(-c2ccc(F)cc2[C@@H](C)O)c(C)c1C
InChIInChI=1S/C14H17FN2O/c1-8-9(2)16-17(10(8)3)14-6-5-12(15)7-13(14)11(4)18/h5-7,11,18H,1-4H3/t11-/m1/s1
InChIKeyDTYDGJMVJQCUEV-LLVKDONJSA-N
MW248.30 g/mol
LogP2.99
Rot. Bonds2

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

(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol (PubChem CID 78941320) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
PubChem CID78941320
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1nn(-c2ccc(F)cc2[C@@H](C)O)c(C)c1C
InChIInChI=1S/C14H17FN2O/c1-8-9(2)16-17(10(8)3)14-6-5-12(15)7-13(14)11(4)18/h5-7,11,18H,1-4H3/t11-/m1/s1
InChIKeyDTYDGJMVJQCUEV-LLVKDONJSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol (CID 78941320) is (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol is Cc1nn(-c2ccc(F)cc2[C@@H](C)O)c(C)c1C.
What is the InChIKey of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is DTYDGJMVJQCUEV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-8-9(2)16-17(10(8)3)14-6-5-12(15)7-13(14)11(4)18/h5-7,11,18H,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 248.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 78941320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).