2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol

C8H11F3N2O — CID 58514645

IUPAC2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C(F)(F)F)c1C
InChIInChI=1S/C8H11F3N2O/c1-5-6(2)12-13(3-4-14)7(5)8(9,10)11/h14H,3-4H2,1-2H3
InChIKeyRQAOPAMFAWCVIC-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.51
Rot. Bonds2

About 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 58514645) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID58514645
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C(F)(F)F)c1C
InChIInChI=1S/C8H11F3N2O/c1-5-6(2)12-13(3-4-14)7(5)8(9,10)11/h14H,3-4H2,1-2H3
InChIKeyRQAOPAMFAWCVIC-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 58514645) is 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C(F)(F)F)c1C.
What is the InChIKey of 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is RQAOPAMFAWCVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-5-6(2)12-13(3-4-14)7(5)8(9,10)11/h14H,3-4H2,1-2H3.
What are the key properties of 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 208.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 58514645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).