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

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Related Compounds

2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79055851
2,2,2-trifluoro-1-(1-nonylpyrazol-4-yl)ethanone
CID 63754418
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
2-(azepan-1-yl)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79052724
2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79060967
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069238
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838

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).