1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine

C7H10F3N3O — CID 61490725

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOCC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)5-14-2-1-13-4-6(11)3-12-13/h3-4H,1-2,5,11H2
InChIKeyHIUMZJKTXBAEKU-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.04
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine

1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine (PubChem CID 61490725) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine
PubChem CID61490725
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOCC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)5-14-2-1-13-4-6(11)3-12-13/h3-4H,1-2,5,11H2
InChIKeyHIUMZJKTXBAEKU-UHFFFAOYSA-N
XLogP1.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine (CID 61490725) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine is Nc1cnn(CCOCC(F)(F)F)c1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
The InChIKey is HIUMZJKTXBAEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)5-14-2-1-13-4-6(11)3-12-13/h3-4H,1-2,5,11H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine has a molecular weight of 209.17 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 61490725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).