ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate

C13H18N4O2 — CID 104733386

IUPACethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1nccn2nccc12
InChIInChI=1S/C13H18N4O2/c1-3-8-16(10-12(18)19-4-2)13-11-5-6-15-17(11)9-7-14-13/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyXSLJXFUPJXQPIV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.51
Rot. Bonds6

About ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate

ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate (PubChem CID 104733386) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
PubChem CID104733386
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1nccn2nccc12
InChIInChI=1S/C13H18N4O2/c1-3-8-16(10-12(18)19-4-2)13-11-5-6-15-17(11)9-7-14-13/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyXSLJXFUPJXQPIV-UHFFFAOYSA-N
XLogP1.51
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396
ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 113446555
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
N'-ethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729830
methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
CID 113446558
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
N-(piperidin-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 106642414
ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
CID 62006648
ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 62007024
ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
CID 62358589
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate (CID 104733386) is ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate is CCCN(CC(=O)OCC)c1nccn2nccc12.
What is the InChIKey of ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The InChIKey is XSLJXFUPJXQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-8-16(10-12(18)19-4-2)13-11-5-6-15-17(11)9-7-14-13/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate has a molecular weight of 262.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate is sourced from PubChem (CID 104733386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).