5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine

C7H10F3N3O — CID 71176905

IUPAC5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCOc1c(N)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H10F3N3O/c1-3-14-6-4(11)5(7(8,9)10)12-13(6)2/h3,11H2,1-2H3
InChIKeyAGYYRMLYUASLFR-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.42
Rot. Bonds2

About 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine

5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 71176905) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID71176905
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCOc1c(N)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H10F3N3O/c1-3-14-6-4(11)5(7(8,9)10)12-13(6)2/h3,11H2,1-2H3
InChIKeyAGYYRMLYUASLFR-UHFFFAOYSA-N
XLogP1.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine (CID 71176905) is 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine is CCOc1c(N)c(C(F)(F)F)nn1C.
What is the InChIKey of 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is AGYYRMLYUASLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-3-14-6-4(11)5(7(8,9)10)12-13(6)2/h3,11H2,1-2H3.
What are the key properties of 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 209.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 71176905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).