2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H19F3N4O — CID 115290162

IUPAC2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H19F3N4O/c1-8(2)5-19(7-12(13,14)15)11(20)10(16)9-4-17-18(3)6-9/h4,6,8,10H,5,7,16H2,1-3H3
InChIKeyLHPLITWFJVNHTD-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115290162) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115290162
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H19F3N4O/c1-8(2)5-19(7-12(13,14)15)11(20)10(16)9-4-17-18(3)6-9/h4,6,8,10H,5,7,16H2,1-3H3
InChIKeyLHPLITWFJVNHTD-UHFFFAOYSA-N
XLogP1.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
CID 115290153
2-amino-N-cyclopentyl-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290971
1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
CID 126440506
2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
CID 113279791
1-amino-6-methyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116604936
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290079
methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
CID 115290159
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 115290162) is 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LHPLITWFJVNHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-8(2)5-19(7-12(13,14)15)11(20)10(16)9-4-17-18(3)6-9/h4,6,8,10H,5,7,16H2,1-3H3.
What are the key properties of 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 292.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115290162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).