2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one

C10H14F3N3O — CID 116592872

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
SMILESCCCn1cc(C(=O)C(C)(N)C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-3-4-16-6-7(5-15-16)8(17)9(2,14)10(11,12)13/h5-6H,3-4,14H2,1-2H3
InChIKeyJYNWARFUOWILKG-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one (PubChem CID 116592872) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
PubChem CID116592872
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
SMILESCCCn1cc(C(=O)C(C)(N)C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-3-4-16-6-7(5-15-16)8(17)9(2,14)10(11,12)13/h5-6H,3-4,14H2,1-2H3
InChIKeyJYNWARFUOWILKG-UHFFFAOYSA-N
XLogP1.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-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-(1-propylpyrazol-4-yl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one (CID 116592872) is 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one is CCCn1cc(C(=O)C(C)(N)C(F)(F)F)cn1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one?
The InChIKey is JYNWARFUOWILKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-16-6-7(5-15-16)8(17)9(2,14)10(11,12)13/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one has a molecular weight of 249.24 g/mol, XLogP of 1.76, 4 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-(1-propylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 116592872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).