1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine

C13H23N5O — CID 79305554

IUPAC1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCC(COC)n1c(N)nc2c(C)nn(CC)c21
InChIInChI=1S/C13H23N5O/c1-5-7-10(8-19-4)18-12-11(15-13(18)14)9(3)16-17(12)6-2/h10H,5-8H2,1-4H3,(H2,14,15)
InChIKeyDQJSEOQVVAGFRG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds6

About 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine

1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305554) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305554
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCC(COC)n1c(N)nc2c(C)nn(CC)c21
InChIInChI=1S/C13H23N5O/c1-5-7-10(8-19-4)18-12-11(15-13(18)14)9(3)16-17(12)6-2/h10H,5-8H2,1-4H3,(H2,14,15)
InChIKeyDQJSEOQVVAGFRG-UHFFFAOYSA-N
XLogP2.13
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79305363
1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79305492
6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284125
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305542
1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305216
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690
6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79283031
5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine
CID 83003459
ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate
CID 79297636
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-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305612

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79305554) is 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine is CCCC(COC)n1c(N)nc2c(C)nn(CC)c21.
What is the InChIKey of 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is DQJSEOQVVAGFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-10(8-19-4)18-12-11(15-13(18)14)9(3)16-17(12)6-2/h10H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).