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

C12H17N7 — CID 102806342

IUPAC6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cn(C)nc3C)c21
InChIInChI=1S/C12H17N7/c1-5-18-11-10(8(3)16-18)14-12(13)19(11)9-6-17(4)15-7(9)2/h6H,5H2,1-4H3,(H2,13,14)
InChIKeyDQGNPQZAGQZTGB-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.17
Rot. Bonds2

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

6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 102806342) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID102806342
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cn(C)nc3C)c21
InChIInChI=1S/C12H17N7/c1-5-18-11-10(8(3)16-18)14-12(13)19(11)9-6-17(4)15-7(9)2/h6H,5H2,1-4H3,(H2,13,14)
InChIKeyDQGNPQZAGQZTGB-UHFFFAOYSA-N
XLogP1.17
TPSA79.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305338
6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305615
1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305612
6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 82766085
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305542
6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 102806286
1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79283615
6-(3-chloro-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305067
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690
6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305686
6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 104779963
1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106105680

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 102806342) is 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3cn(C)nc3C)c21.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is DQGNPQZAGQZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-5-18-11-10(8(3)16-18)14-12(13)19(11)9-6-17(4)15-7(9)2/h6H,5H2,1-4H3,(H2,13,14).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 259.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 102806342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).