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

C9H10F6N2O — CID 88889213

IUPAC2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCCc1c(C(F)(F)F)nn(CCO)c1C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c1-2-5-6(8(10,11)12)16-17(3-4-18)7(5)9(13,14)15/h18H,2-4H2,1H3
InChIKeyVHPWDSTWYKUBGK-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.48
Rot. Bonds3

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

2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 88889213) has the molecular formula C9H10F6N2O and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID88889213
Molecular FormulaC9H10F6N2O
Molecular Weight276.18 g/mol
Exact Mass276.07
IUPAC Name2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCCc1c(C(F)(F)F)nn(CCO)c1C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c1-2-5-6(8(10,11)12)16-17(3-4-18)7(5)9(13,14)15/h18H,2-4H2,1H3
InChIKeyVHPWDSTWYKUBGK-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol (CID 88889213) is 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol is CCc1c(C(F)(F)F)nn(CCO)c1C(F)(F)F.
What is the InChIKey of 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is VHPWDSTWYKUBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2O/c1-2-5-6(8(10,11)12)16-17(3-4-18)7(5)9(13,14)15/h18H,2-4H2,1H3.
What are the key properties of 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 276.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 88889213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).