ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate

C12H14N4O3 — CID 103121176

IUPACethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H14N4O3/c1-3-19-12(18)8(2)15-11(17)9-6-14-16-5-4-13-7-10(9)16/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyBLANUKOQINRKLB-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.41
Rot. Bonds4

About ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate

ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate (PubChem CID 103121176) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
PubChem CID103121176
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Nameethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H14N4O3/c1-3-19-12(18)8(2)15-11(17)9-6-14-16-5-4-13-7-10(9)16/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyBLANUKOQINRKLB-UHFFFAOYSA-N
XLogP0.41
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxybutan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120076
N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115859
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121
N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116011
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 107823505
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-(1-amino-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106164842
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate?
The IUPAC name of ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate (CID 103121176) is ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate.
What is the SMILES notation for ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate?
The canonical SMILES for ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate is CCOC(=O)C(C)NC(=O)c1cnn2ccncc12.
What is the InChIKey of ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate?
The InChIKey is BLANUKOQINRKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-19-12(18)8(2)15-11(17)9-6-14-16-5-4-13-7-10(9)16/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate?
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate has a molecular weight of 262.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate is sourced from PubChem (CID 103121176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).