1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine

C10H15N7 — CID 137284743

IUPAC1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine
SMILESCCCCn1ncc(/N=N/c2ncc[nH]2)c1N
InChIInChI=1S/C10H15N7/c1-2-3-6-17-9(11)8(7-14-17)15-16-10-12-4-5-13-10/h4-5,7H,2-3,6,11H2,1H3,(H,12,13)/b16-15+
InChIKeyFBPSRUQIDASBOD-FOCLMDBBSA-N
MW233.28 g/mol
LogP2.40
Rot. Bonds5

About 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine

1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine (PubChem CID 137284743) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine
PubChem CID137284743
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine
SMILESCCCCn1ncc(/N=N/c2ncc[nH]2)c1N
InChIInChI=1S/C10H15N7/c1-2-3-6-17-9(11)8(7-14-17)15-16-10-12-4-5-13-10/h4-5,7H,2-3,6,11H2,1H3,(H,12,13)/b16-15+
InChIKeyFBPSRUQIDASBOD-FOCLMDBBSA-N
XLogP2.40
TPSA97.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine?
The IUPAC name of 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine (CID 137284743) is 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine.
What is the SMILES notation for 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine?
The canonical SMILES for 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine is CCCCn1ncc(/N=N/c2ncc[nH]2)c1N.
What is the InChIKey of 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine?
The InChIKey is FBPSRUQIDASBOD-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H15N7/c1-2-3-6-17-9(11)8(7-14-17)15-16-10-12-4-5-13-10/h4-5,7H,2-3,6,11H2,1H3,(H,12,13)/b16-15+.
What are the key properties of 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine?
1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine has a molecular weight of 233.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine is sourced from PubChem (CID 137284743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).