1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine

C8H12F3N3O — CID 79778364

IUPAC1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine
SMILESCn1ccc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-14-4-2-7(13-14)12-3-5-15-6-8(9,10)11/h2,4H,3,5-6H2,1H3,(H,12,13)
InChIKeyYVXHHFWCDJGZRS-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.41
Rot. Bonds5

About 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine

1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine (PubChem CID 79778364) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine
PubChem CID79778364
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine
SMILESCn1ccc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-14-4-2-7(13-14)12-3-5-15-6-8(9,10)11/h2,4H,3,5-6H2,1H3,(H,12,13)
InChIKeyYVXHHFWCDJGZRS-UHFFFAOYSA-N
XLogP1.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.41
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-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine (CID 79778364) is 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine is Cn1ccc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine?
The InChIKey is YVXHHFWCDJGZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-4-2-7(13-14)12-3-5-15-6-8(9,10)11/h2,4H,3,5-6H2,1H3,(H,12,13).
What are the key properties of 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine?
1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine has a molecular weight of 223.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 79778364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).