4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine

C9H13N7 — CID 137284714

IUPAC4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine
SMILESCCCn1ncc(/N=N/c2ncc[nH]2)c1N
InChIInChI=1S/C9H13N7/c1-2-5-16-8(10)7(6-13-16)14-15-9-11-3-4-12-9/h3-4,6H,2,5,10H2,1H3,(H,11,12)/b15-14+
InChIKeyPYYGJQVREMYFAF-CCEZHUSRSA-N
MW219.25 g/mol
LogP2.01
Rot. Bonds4

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

4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine (PubChem CID 137284714) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine
PubChem CID137284714
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine
SMILESCCCn1ncc(/N=N/c2ncc[nH]2)c1N
InChIInChI=1S/C9H13N7/c1-2-5-16-8(10)7(6-13-16)14-15-9-11-3-4-12-9/h3-4,6H,2,5,10H2,1H3,(H,11,12)/b15-14+
InChIKeyPYYGJQVREMYFAF-CCEZHUSRSA-N
XLogP2.01
TPSA97.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.01
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 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine?
The IUPAC name of 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine (CID 137284714) is 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine.
What is the SMILES notation for 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine?
The canonical SMILES for 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine is CCCn1ncc(/N=N/c2ncc[nH]2)c1N.
What is the InChIKey of 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine?
The InChIKey is PYYGJQVREMYFAF-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H13N7/c1-2-5-16-8(10)7(6-13-16)14-15-9-11-3-4-12-9/h3-4,6H,2,5,10H2,1H3,(H,11,12)/b15-14+.
What are the key properties of 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine?
4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine has a molecular weight of 219.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine is sourced from PubChem (CID 137284714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).