2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one

C8H10F3N3O — CID 116592891

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-7(12,8(9,10)11)6(15)5-3-4-13-14(5)2/h3-4H,12H2,1-2H3
InChIKeyYDHYBZJKLVVAJZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.88
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 116592891) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID116592891
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-7(12,8(9,10)11)6(15)5-3-4-13-14(5)2/h3-4H,12H2,1-2H3
InChIKeyYDHYBZJKLVVAJZ-UHFFFAOYSA-N
XLogP0.88
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one 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 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one (CID 116592891) is 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is YDHYBZJKLVVAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-7(12,8(9,10)11)6(15)5-3-4-13-14(5)2/h3-4H,12H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 221.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 116592891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).