5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole

C9H13F3N2O — CID 118464187

IUPAC5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CCOC
InChIInChI=1S/C9H13F3N2O/c1-3-7-6-8(9(10,11)12)13-14(7)4-5-15-2/h6H,3-5H2,1-2H3
InChIKeyPSSXUTCHJZPVNU-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.11
Rot. Bonds4

About 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole

5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 118464187) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
PubChem CID118464187
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CCOC
InChIInChI=1S/C9H13F3N2O/c1-3-7-6-8(9(10,11)12)13-14(7)4-5-15-2/h6H,3-5H2,1-2H3
InChIKeyPSSXUTCHJZPVNU-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole (CID 118464187) is 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)nn1CCOC.
What is the InChIKey of 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is PSSXUTCHJZPVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-3-7-6-8(9(10,11)12)13-14(7)4-5-15-2/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole?
5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 222.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118464187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).