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

C12H20N6O — CID 79299990

IUPAC3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
SMILESCCc1nn(C)c2c1nc(N)n2CCC(=O)N(C)C
InChIInChI=1S/C12H20N6O/c1-5-8-10-11(17(4)15-8)18(12(13)14-10)7-6-9(19)16(2)3/h5-7H2,1-4H3,(H2,13,14)
InChIKeyHQZGXJXSIMJHKZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.39
Rot. Bonds4

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

3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide (PubChem CID 79299990) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
PubChem CID79299990
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
SMILESCCc1nn(C)c2c1nc(N)n2CCC(=O)N(C)C
InChIInChI=1S/C12H20N6O/c1-5-8-10-11(17(4)15-8)18(12(13)14-10)7-6-9(19)16(2)3/h5-7H2,1-4H3,(H2,13,14)
InChIKeyHQZGXJXSIMJHKZ-UHFFFAOYSA-N
XLogP0.39
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide (CID 79299990) is 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide is CCc1nn(C)c2c1nc(N)n2CCC(=O)N(C)C.
What is the InChIKey of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
The InChIKey is HQZGXJXSIMJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-5-8-10-11(17(4)15-8)18(12(13)14-10)7-6-9(19)16(2)3/h5-7H2,1-4H3,(H2,13,14).
What are the key properties of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 79299990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).