1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine

C16H23N5 — CID 155398803

IUPAC1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine
SMILESCCCCCCn1nc(C)c(/N=N/c2ccccc2)c1N
InChIInChI=1S/C16H23N5/c1-3-4-5-9-12-21-16(17)15(13(2)20-21)19-18-14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12,17H2,1-2H3/b19-18+
InChIKeyLIQAGMMATDWVGG-VHEBQXMUSA-N
MW285.39 g/mol
LogP4.77
Rot. Bonds7

About 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine

1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine (PubChem CID 155398803) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine.

Molecular Properties

Compound Name1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine
PubChem CID155398803
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine
SMILESCCCCCCn1nc(C)c(/N=N/c2ccccc2)c1N
InChIInChI=1S/C16H23N5/c1-3-4-5-9-12-21-16(17)15(13(2)20-21)19-18-14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12,17H2,1-2H3/b19-18+
InChIKeyLIQAGMMATDWVGG-VHEBQXMUSA-N
XLogP4.77
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine?
The IUPAC name of 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine (CID 155398803) is 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine.
What is the SMILES notation for 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine?
The canonical SMILES for 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine is CCCCCCn1nc(C)c(/N=N/c2ccccc2)c1N.
What is the InChIKey of 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine?
The InChIKey is LIQAGMMATDWVGG-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-4-5-9-12-21-16(17)15(13(2)20-21)19-18-14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12,17H2,1-2H3/b19-18+.
What are the key properties of 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine?
1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine has a molecular weight of 285.39 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine is sourced from PubChem (CID 155398803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).