1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol

C15H19FN2O — CID 61237972

IUPAC1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
SMILESCCc1c(C)nn(-c2cccc(F)c2C(C)O)c1C
InChIInChI=1S/C15H19FN2O/c1-5-12-9(2)17-18(10(12)3)14-8-6-7-13(16)15(14)11(4)19/h6-8,11,19H,5H2,1-4H3
InChIKeyAMCQVTFEQZJDCB-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.24
Rot. Bonds3

About 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol

1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol (PubChem CID 61237972) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
PubChem CID61237972
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
SMILESCCc1c(C)nn(-c2cccc(F)c2C(C)O)c1C
InChIInChI=1S/C15H19FN2O/c1-5-12-9(2)17-18(10(12)3)14-8-6-7-13(16)15(14)11(4)19/h6-8,11,19H,5H2,1-4H3
InChIKeyAMCQVTFEQZJDCB-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol (CID 61237972) is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol is CCc1c(C)nn(-c2cccc(F)c2C(C)O)c1C.
What is the InChIKey of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is AMCQVTFEQZJDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-12-9(2)17-18(10(12)3)14-8-6-7-13(16)15(14)11(4)19/h6-8,11,19H,5H2,1-4H3.
What are the key properties of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol?
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 262.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 61237972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).