methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate

C16H19N3O3 — CID 70669546

IUPACmethyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cn1nc(-c2ccccc2)cc1C
InChIInChI=1S/C16H19N3O3/c1-11-9-14(13-7-5-4-6-8-13)18-19(11)10-15(20)17-12(2)16(21)22-3/h4-9,12H,10H2,1-3H3,(H,17,20)
InChIKeyRAALAPMMGRLWDC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.54
Rot. Bonds5

About methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate

methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate (PubChem CID 70669546) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate
PubChem CID70669546
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cn1nc(-c2ccccc2)cc1C
InChIInChI=1S/C16H19N3O3/c1-11-9-14(13-7-5-4-6-8-13)18-19(11)10-15(20)17-12(2)16(21)22-3/h4-9,12H,10H2,1-3H3,(H,17,20)
InChIKeyRAALAPMMGRLWDC-UHFFFAOYSA-N
XLogP1.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95314518
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
methyl 2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91821632
methyl (2S)-2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91639933
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate
CID 11290915
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962
methyl (2S)-4-[2-[2-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]tetrazol-5-yl]-2-(phenylmethoxycarbonylamino)butanoate
CID 10623915
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate (CID 70669546) is methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cn1nc(-c2ccccc2)cc1C.
What is the InChIKey of methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate?
The InChIKey is RAALAPMMGRLWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-9-14(13-7-5-4-6-8-13)18-19(11)10-15(20)17-12(2)16(21)22-3/h4-9,12H,10H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate?
methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate has a molecular weight of 301.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 70669546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).