[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

C15H18F3N5O3 — CID 55404351

IUPAC[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCc1nn(C)c(C)c1NC(=O)C(C)OC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O3/c1-8-13(9(2)22(4)20-8)19-14(25)10(3)26-12(24)7-23-6-5-11(21-23)15(16,17)18/h5-6,10H,7H2,1-4H3,(H,19,25)
InChIKeyOJLFYCVNWXKMSY-UHFFFAOYSA-N
MW373.34 g/mol
LogP1.82
Rot. Bonds5

About [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 55404351) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Name[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID55404351
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCc1nn(C)c(C)c1NC(=O)C(C)OC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O3/c1-8-13(9(2)22(4)20-8)19-14(25)10(3)26-12(24)7-23-6-5-11(21-23)15(16,17)18/h5-6,10H,7H2,1-4H3,(H,19,25)
InChIKeyOJLFYCVNWXKMSY-UHFFFAOYSA-N
XLogP1.82
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8881187
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 55312452
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-methylphenyl)acetate
CID 8935155
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 55405117
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methylphenyl)acetate
CID 55404638
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methylphenyl)acetate
CID 8972382
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylpropanoate
CID 55404984
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 8749453
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 8936085
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8749560
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8650159
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-methylphenoxy)acetate
CID 8651975

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (CID 55404351) is [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is Cc1nn(C)c(C)c1NC(=O)C(C)OC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is OJLFYCVNWXKMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c1-8-13(9(2)22(4)20-8)19-14(25)10(3)26-12(24)7-23-6-5-11(21-23)15(16,17)18/h5-6,10H,7H2,1-4H3,(H,19,25).
What are the key properties of [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 373.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 55404351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).