1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine

C8H12F3N3O — CID 66013466

IUPAC1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-3-14-7(6(12)5(2)13-14)15-4-8(9,10)11/h3-4,12H2,1-2H3
InChIKeyFLDWKKRIBHMYJI-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.73
Rot. Bonds3

About 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine

1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine (PubChem CID 66013466) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine
PubChem CID66013466
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-3-14-7(6(12)5(2)13-14)15-4-8(9,10)11/h3-4,12H2,1-2H3
InChIKeyFLDWKKRIBHMYJI-UHFFFAOYSA-N
XLogP1.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine (CID 66013466) is 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine is CCn1nc(C)c(N)c1OCC(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The InChIKey is FLDWKKRIBHMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-3-14-7(6(12)5(2)13-14)15-4-8(9,10)11/h3-4,12H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine has a molecular weight of 223.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine is sourced from PubChem (CID 66013466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).