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

C14H21N7 — CID 79284258

IUPAC1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCCCn3ccnc3)c21
InChIInChI=1S/C14H21N7/c1-3-21-13-12(11(2)18-21)17-14(15)20(13)8-5-4-7-19-9-6-16-10-19/h6,9-10H,3-5,7-8H2,1-2H3,(H2,15,17)
InChIKeyMKVHMOAVZMVBOI-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.82
Rot. Bonds6

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

1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79284258) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79284258
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCCCn3ccnc3)c21
InChIInChI=1S/C14H21N7/c1-3-21-13-12(11(2)18-21)17-14(15)20(13)8-5-4-7-19-9-6-16-10-19/h6,9-10H,3-5,7-8H2,1-2H3,(H2,15,17)
InChIKeyMKVHMOAVZMVBOI-UHFFFAOYSA-N
XLogP1.82
TPSA79.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79284258) is 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CCCCn3ccnc3)c21.
What is the InChIKey of 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is MKVHMOAVZMVBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-3-21-13-12(11(2)18-21)17-14(15)20(13)8-5-4-7-19-9-6-16-10-19/h6,9-10H,3-5,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 287.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79284258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).