(1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate

C8H10F3N3O2 — CID 71283886

IUPAC(1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate
SMILESCC(C(N)OC(=O)C(F)(F)F)n1cccn1
InChIInChI=1S/C8H10F3N3O2/c1-5(14-4-2-3-13-14)6(12)16-7(15)8(9,10)11/h2-6H,12H2,1H3
InChIKeyRSGPFQUEVXNKAE-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.83
Rot. Bonds3

About (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate

(1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate (PubChem CID 71283886) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate
PubChem CID71283886
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name(1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate
SMILESCC(C(N)OC(=O)C(F)(F)F)n1cccn1
InChIInChI=1S/C8H10F3N3O2/c1-5(14-4-2-3-13-14)6(12)16-7(15)8(9,10)11/h2-6H,12H2,1H3
InChIKeyRSGPFQUEVXNKAE-UHFFFAOYSA-N
XLogP0.83
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate?
The IUPAC name of (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate (CID 71283886) is (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate is CC(C(N)OC(=O)C(F)(F)F)n1cccn1.
What is the InChIKey of (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate?
The InChIKey is RSGPFQUEVXNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-5(14-4-2-3-13-14)6(12)16-7(15)8(9,10)11/h2-6H,12H2,1H3.
What are the key properties of (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate?
(1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate has a molecular weight of 237.18 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-pyrazol-1-ylpropyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 71283886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).