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

C15H19N5 — CID 79305338

IUPAC6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cc(C)cc(C)c3)c21
InChIInChI=1S/C15H19N5/c1-5-19-14-13(11(4)18-19)17-15(16)20(14)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H2,16,17)
InChIKeyJVFLRRKRMRJMDZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds2

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

6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305338) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305338
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cc(C)cc(C)c3)c21
InChIInChI=1S/C15H19N5/c1-5-19-14-13(11(4)18-19)17-15(16)20(14)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H2,16,17)
InChIKeyJVFLRRKRMRJMDZ-UHFFFAOYSA-N
XLogP2.75
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284171
6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305686
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-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 104779963
6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 82766085
6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 102806342
6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305615
6-(3-bromo-5-methylphenyl)-5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 107576197
1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305612
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305542
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79305338) is 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3cc(C)cc(C)c3)c21.
What is the InChIKey of 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is JVFLRRKRMRJMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-5-19-14-13(11(4)18-19)17-15(16)20(14)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H2,16,17).
What are the key properties of 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 269.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).