3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine

C9H14F3N3O — CID 61490726

IUPAC3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine
SMILESCc1nn(CCOCC(F)(F)F)c(C)c1N
InChIInChI=1S/C9H14F3N3O/c1-6-8(13)7(2)15(14-6)3-4-16-5-9(10,11)12/h3-5,13H2,1-2H3
InChIKeyWEUCIUAHTSTABF-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.66
Rot. Bonds4

About 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine

3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine (PubChem CID 61490726) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine
PubChem CID61490726
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine
SMILESCc1nn(CCOCC(F)(F)F)c(C)c1N
InChIInChI=1S/C9H14F3N3O/c1-6-8(13)7(2)15(14-6)3-4-16-5-9(10,11)12/h3-5,13H2,1-2H3
InChIKeyWEUCIUAHTSTABF-UHFFFAOYSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-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 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine (CID 61490726) is 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine is Cc1nn(CCOCC(F)(F)F)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
The InChIKey is WEUCIUAHTSTABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6-8(13)7(2)15(14-6)3-4-16-5-9(10,11)12/h3-5,13H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine?
3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine has a molecular weight of 237.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 61490726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).