ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate

C10H15N3O3 — CID 79040354

IUPACethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-16-10(15)4-5-11-9(14)7-8-3-6-12-13-8/h3,6H,2,4-5,7H2,1H3,(H,11,14)(H,12,13)
InChIKeyFSQOQPYRJWAUTR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.02
Rot. Bonds6

About ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate

ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate (PubChem CID 79040354) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
PubChem CID79040354
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-16-10(15)4-5-11-9(14)7-8-3-6-12-13-8/h3,6H,2,4-5,7H2,1H3,(H,11,14)(H,12,13)
InChIKeyFSQOQPYRJWAUTR-UHFFFAOYSA-N
XLogP0.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1H-pyrazol-5-ylmethylamino)butanoate
CID 64578531
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
propyl 2-(1H-pyrazol-5-yl)acetate
CID 79139219
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
CID 61457429
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoate
CID 60718057

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate (CID 79040354) is ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)Cc1ccn[nH]1.
What is the InChIKey of ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate?
The InChIKey is FSQOQPYRJWAUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-16-10(15)4-5-11-9(14)7-8-3-6-12-13-8/h3,6H,2,4-5,7H2,1H3,(H,11,14)(H,12,13).
What are the key properties of ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate?
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate is sourced from PubChem (CID 79040354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).