1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C12H21F3N4O — CID 63946653

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCN(CC(O)Cn1nc(C)c(N)c1C)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O/c1-4-18(7-12(13,14)15)5-10(20)6-19-9(3)11(16)8(2)17-19/h10,20H,4-7,16H2,1-3H3
InChIKeyPBUKGTXLEDRBQC-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.33
Rot. Bonds6

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 63946653) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID63946653
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCN(CC(O)Cn1nc(C)c(N)c1C)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O/c1-4-18(7-12(13,14)15)5-10(20)6-19-9(3)11(16)8(2)17-19/h10,20H,4-7,16H2,1-3H3
InChIKeyPBUKGTXLEDRBQC-UHFFFAOYSA-N
XLogP1.33
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol 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-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 63946653) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CCN(CC(O)Cn1nc(C)c(N)c1C)CC(F)(F)F.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is PBUKGTXLEDRBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c1-4-18(7-12(13,14)15)5-10(20)6-19-9(3)11(16)8(2)17-19/h10,20H,4-7,16H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 294.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 63946653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).