5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol

C11H17F3N2O2 — CID 115515665

IUPAC5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol
SMILESCOc1c(C(O)CCCC(F)(F)F)c(C)nn1C
InChIInChI=1S/C11H17F3N2O2/c1-7-9(10(18-3)16(2)15-7)8(17)5-4-6-11(12,13)14/h8,17H,4-6H2,1-3H3
InChIKeyASZUOLUFPYOQMQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.50
Rot. Bonds5

About 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol

5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol (PubChem CID 115515665) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol
PubChem CID115515665
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol
SMILESCOc1c(C(O)CCCC(F)(F)F)c(C)nn1C
InChIInChI=1S/C11H17F3N2O2/c1-7-9(10(18-3)16(2)15-7)8(17)5-4-6-11(12,13)14/h8,17H,4-6H2,1-3H3
InChIKeyASZUOLUFPYOQMQ-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol (CID 115515665) is 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol is COc1c(C(O)CCCC(F)(F)F)c(C)nn1C.
What is the InChIKey of 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol?
The InChIKey is ASZUOLUFPYOQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-7-9(10(18-3)16(2)15-7)8(17)5-4-6-11(12,13)14/h8,17H,4-6H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol?
5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol has a molecular weight of 266.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 115515665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).