ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate

C12H19N5O2 — CID 79299714

IUPACethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate
SMILESCCOC(=O)CCn1c(N)nc2c(CC)nn(C)c21
InChIInChI=1S/C12H19N5O2/c1-4-8-10-11(16(3)15-8)17(12(13)14-10)7-6-9(18)19-5-2/h4-7H2,1-3H3,(H2,13,14)
InChIKeyVKDMYIVROAQNBS-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.87
Rot. Bonds5

About ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate

ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate (PubChem CID 79299714) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate
PubChem CID79299714
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Nameethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate
SMILESCCOC(=O)CCn1c(N)nc2c(CC)nn(C)c21
InChIInChI=1S/C12H19N5O2/c1-4-8-10-11(16(3)15-8)17(12(13)14-10)7-6-9(18)19-5-2/h4-7H2,1-3H3,(H2,13,14)
InChIKeyVKDMYIVROAQNBS-UHFFFAOYSA-N
XLogP0.87
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate?
The IUPAC name of ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate (CID 79299714) is ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate?
The canonical SMILES for ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate is CCOC(=O)CCn1c(N)nc2c(CC)nn(C)c21.
What is the InChIKey of ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate?
The InChIKey is VKDMYIVROAQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-8-10-11(16(3)15-8)17(12(13)14-10)7-6-9(18)19-5-2/h4-7H2,1-3H3,(H2,13,14).
What are the key properties of ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate?
ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate has a molecular weight of 265.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate is sourced from PubChem (CID 79299714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).