[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate

C19H24N2O4 — CID 7470771

IUPAC[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)C[C@H](C)n2nc(C)cc2C)cc1
InChIInChI=1S/C19H24N2O4/c1-12-10-13(2)21(20-12)14(3)11-18(22)25-15(4)19(23)16-6-8-17(24-5)9-7-16/h6-10,14-15H,11H2,1-5H3/t14-,15+/m0/s1
InChIKeyYPYDUTGCYAYACC-LSDHHAIUSA-N
MW344.41 g/mol
LogP3.27
Rot. Bonds7

About [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate (PubChem CID 7470771) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate
PubChem CID7470771
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)C[C@H](C)n2nc(C)cc2C)cc1
InChIInChI=1S/C19H24N2O4/c1-12-10-13(2)21(20-12)14(3)11-18(22)25-15(4)19(23)16-6-8-17(24-5)9-7-16/h6-10,14-15H,11H2,1-5H3/t14-,15+/m0/s1
InChIKeyYPYDUTGCYAYACC-LSDHHAIUSA-N
XLogP3.27
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate with MolForge

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Related Compounds

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968901
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 92693235
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46972105
(3R)-1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92602872
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234424
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011572

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate (CID 7470771) is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate is COc1ccc(C(=O)[C@@H](C)OC(=O)C[C@H](C)n2nc(C)cc2C)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate?
The InChIKey is YPYDUTGCYAYACC-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-10-13(2)21(20-12)14(3)11-18(22)25-15(4)19(23)16-6-8-17(24-5)9-7-16/h6-10,14-15H,11H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate?
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate has a molecular weight of 344.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate is sourced from PubChem (CID 7470771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).