1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole

C7H9F3N2O — CID 170376020

IUPAC1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole
SMILESCc1cn(C)nc1OCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-5-3-12(2)11-6(5)13-4-7(8,9)10/h3H,4H2,1-2H3
InChIKeyJANVGJUTRANDIP-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.67
Rot. Bonds2

About 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole

1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole (PubChem CID 170376020) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole.

Molecular Properties

Compound Name1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole
PubChem CID170376020
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole
SMILESCc1cn(C)nc1OCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-5-3-12(2)11-6(5)13-4-7(8,9)10/h3H,4H2,1-2H3
InChIKeyJANVGJUTRANDIP-UHFFFAOYSA-N
XLogP1.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole?
The IUPAC name of 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole (CID 170376020) is 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole.
What is the SMILES notation for 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole?
The canonical SMILES for 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole is Cc1cn(C)nc1OCC(F)(F)F.
What is the InChIKey of 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole?
The InChIKey is JANVGJUTRANDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-3-12(2)11-6(5)13-4-7(8,9)10/h3H,4H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole?
1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazole is sourced from PubChem (CID 170376020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).