1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol

C8H11F3N2O — CID 170905107

IUPAC1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCn1ncc(C(C)O)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-13-7(8(9,10)11)6(4-12-13)5(2)14/h4-5,14H,3H2,1-2H3
InChIKeySCXRWVZDELCYBN-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.98
Rot. Bonds2

About 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol

1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 170905107) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID170905107
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCn1ncc(C(C)O)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-13-7(8(9,10)11)6(4-12-13)5(2)14/h4-5,14H,3H2,1-2H3
InChIKeySCXRWVZDELCYBN-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 170905107) is 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol is CCn1ncc(C(C)O)c1C(F)(F)F.
What is the InChIKey of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is SCXRWVZDELCYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-13-7(8(9,10)11)6(4-12-13)5(2)14/h4-5,14H,3H2,1-2H3.
What are the key properties of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol?
1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 208.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 170905107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).