5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole

C7H9F3N2O — CID 134612665

IUPAC5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole
SMILESCCOC(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-13-6(7(8,9)10)5-3-4-11-12-5/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyALRWSYOIULHPSP-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.05
Rot. Bonds3

About 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole

5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole (PubChem CID 134612665) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole
PubChem CID134612665
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole
SMILESCCOC(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-13-6(7(8,9)10)5-3-4-11-12-5/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyALRWSYOIULHPSP-UHFFFAOYSA-N
XLogP2.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole?
The IUPAC name of 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole (CID 134612665) is 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole?
The canonical SMILES for 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole is CCOC(c1ccn[nH]1)C(F)(F)F.
What is the InChIKey of 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole?
The InChIKey is ALRWSYOIULHPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-13-6(7(8,9)10)5-3-4-11-12-5/h3-4,6H,2H2,1H3,(H,11,12).
What are the key properties of 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole?
5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole has a molecular weight of 194.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxy-2,2,2-trifluoroethyl)-1H-pyrazole is sourced from PubChem (CID 134612665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).