[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate

C18H20N4O4 — CID 9274437

IUPAC[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)COc1ccccc1C#N
InChIInChI=1S/C18H20N4O4/c1-12(2)22-16(8-9-20-22)21-18(24)13(3)26-17(23)11-25-15-7-5-4-6-14(15)10-19/h4-9,12-13H,11H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyWVZQCTXJEXSNRY-CYBMUJFWSA-N
MW356.38 g/mol
LogP2.28
Rot. Bonds7

About [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate (PubChem CID 9274437) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate
PubChem CID9274437
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)COc1ccccc1C#N
InChIInChI=1S/C18H20N4O4/c1-12(2)22-16(8-9-20-22)21-18(24)13(3)26-17(23)11-25-15-7-5-4-6-14(15)10-19/h4-9,12-13H,11H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyWVZQCTXJEXSNRY-CYBMUJFWSA-N
XLogP2.28
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate with MolForge

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Related Compounds

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8908561
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274527
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149523
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598584
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275716
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275885
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274542
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275422
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9318424
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570587
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612742

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate (CID 9274437) is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate is CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)COc1ccccc1C#N.
What is the InChIKey of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate?
The InChIKey is WVZQCTXJEXSNRY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(2)22-16(8-9-20-22)21-18(24)13(3)26-17(23)11-25-15-7-5-4-6-14(15)10-19/h4-9,12-13H,11H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate?
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate has a molecular weight of 356.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9274437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).