1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine

C8H12F3N3O — CID 122171367

IUPAC1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine
SMILESCCn1nc(N)cc1COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-2-14-6(3-7(12)13-14)4-15-5-8(9,10)11/h3H,2,4-5H2,1H3,(H2,12,13)
InChIKeyQUIUCLKAPJHHKD-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.56
Rot. Bonds4

About 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine

1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine (PubChem CID 122171367) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine
PubChem CID122171367
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine
SMILESCCn1nc(N)cc1COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-2-14-6(3-7(12)13-14)4-15-5-8(9,10)11/h3H,2,4-5H2,1H3,(H2,12,13)
InChIKeyQUIUCLKAPJHHKD-UHFFFAOYSA-N
XLogP1.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine 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-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine (CID 122171367) is 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine is CCn1nc(N)cc1COCC(F)(F)F.
What is the InChIKey of 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine?
The InChIKey is QUIUCLKAPJHHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-2-14-6(3-7(12)13-14)4-15-5-8(9,10)11/h3H,2,4-5H2,1H3,(H2,12,13).
What are the key properties of 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine?
1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine has a molecular weight of 223.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-amine is sourced from PubChem (CID 122171367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).