(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol

C15H20N2O — CID 82694027

IUPAC(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
SMILESCCc1cc(CC)n(-c2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C15H20N2O/c1-4-12-10-13(5-2)17(16-12)15-9-7-6-8-14(15)11(3)18/h6-11,18H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyFFNILZYMEFMWII-LLVKDONJSA-N
MW244.34 g/mol
LogP3.05
Rot. Bonds4

About (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol

(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol (PubChem CID 82694027) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
PubChem CID82694027
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
SMILESCCc1cc(CC)n(-c2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C15H20N2O/c1-4-12-10-13(5-2)17(16-12)15-9-7-6-8-14(15)11(3)18/h6-11,18H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyFFNILZYMEFMWII-LLVKDONJSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.05
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)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol (CID 82694027) is (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol is CCc1cc(CC)n(-c2ccccc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is FFNILZYMEFMWII-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-12-10-13(5-2)17(16-12)15-9-7-6-8-14(15)11(3)18/h6-11,18H,4-5H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol?
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 244.34 g/mol, XLogP of 3.05, 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)phenyl]ethanol is sourced from PubChem (CID 82694027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).