[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate

C17H20ClN3O4 — CID 8908561

IUPAC[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESCC(C)n1nccc1NC(=O)[C@H](C)OC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4/c1-11(2)21-15(8-9-19-21)20-17(23)12(3)25-16(22)10-24-14-7-5-4-6-13(14)18/h4-9,11-12H,10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyDJVIZDOVEOUDMU-LBPRGKRZSA-N
MW365.82 g/mol
LogP3.07
Rot. Bonds7

About [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate (PubChem CID 8908561) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate
PubChem CID8908561
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESCC(C)n1nccc1NC(=O)[C@H](C)OC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4/c1-11(2)21-15(8-9-19-21)20-17(23)12(3)25-16(22)10-24-14-7-5-4-6-13(14)18/h4-9,11-12H,10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyDJVIZDOVEOUDMU-LBPRGKRZSA-N
XLogP3.07
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274437
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598584
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775497
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775496
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149523
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-(2,4-dichlorophenoxy)butanoate
CID 42981657
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 23737319
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55525762
[(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 [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate (CID 8908561) is [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate is CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)COc1ccccc1Cl.
What is the InChIKey of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate?
The InChIKey is DJVIZDOVEOUDMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-11(2)21-15(8-9-19-21)20-17(23)12(3)25-16(22)10-24-14-7-5-4-6-13(14)18/h4-9,11-12H,10H2,1-3H3,(H,20,23)/t12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate?
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate has a molecular weight of 365.82 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 8908561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).