ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate

C11H17N5O2 — CID 79297636

IUPACethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate
SMILESCCOC(=O)C(C)n1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C11H17N5O2/c1-5-18-10(17)7(3)16-9-8(13-11(16)12)6(2)14-15(9)4/h7H,5H2,1-4H3,(H2,12,13)
InChIKeyPAHMACCTCUDJCZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.78
Rot. Bonds3

About ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate

ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate (PubChem CID 79297636) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate
PubChem CID79297636
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Nameethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate
SMILESCCOC(=O)C(C)n1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C11H17N5O2/c1-5-18-10(17)7(3)16-9-8(13-11(16)12)6(2)14-15(9)4/h7H,5H2,1-4H3,(H2,12,13)
InChIKeyPAHMACCTCUDJCZ-UHFFFAOYSA-N
XLogP0.78
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide
CID 79297000
1,3-dimethyl-6-(5-methylhexan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79296795
ethyl 2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]propanoate
CID 79308332
1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 113477822
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethyl-N-methylpropanamide
CID 103112220
1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79296785
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylacetamide
CID 79297215
ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate
CID 79288175
6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297221
1,3-dimethyl-6-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79296870
6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297006
ethyl 4-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]butanoate
CID 79276861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate?
The IUPAC name of ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate (CID 79297636) is ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate?
The canonical SMILES for ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate is CCOC(=O)C(C)n1c(N)nc2c(C)nn(C)c21.
What is the InChIKey of ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate?
The InChIKey is PAHMACCTCUDJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-18-10(17)7(3)16-9-8(13-11(16)12)6(2)14-15(9)4/h7H,5H2,1-4H3,(H2,12,13).
What are the key properties of ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate?
ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate has a molecular weight of 251.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate is sourced from PubChem (CID 79297636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).