4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide

C8H14N6O — CID 137309384

IUPAC4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)/N=N/c1cn[nH]c1C(N)=O
InChIInChI=1S/C8H14N6O/c1-3-14(4-2)13-11-6-5-10-12-7(6)8(9)15/h5H,3-4H2,1-2H3,(H2,9,15)(H,10,12)/b13-11+
InChIKeySEUGUZPXLJUHQM-ACCUITESSA-N
MW210.24 g/mol
LogP0.85
Rot. Bonds5

About 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide

4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide (PubChem CID 137309384) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide
PubChem CID137309384
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)/N=N/c1cn[nH]c1C(N)=O
InChIInChI=1S/C8H14N6O/c1-3-14(4-2)13-11-6-5-10-12-7(6)8(9)15/h5H,3-4H2,1-2H3,(H2,9,15)(H,10,12)/b13-11+
InChIKeySEUGUZPXLJUHQM-ACCUITESSA-N
XLogP0.85
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide (CID 137309384) is 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide is CCN(CC)/N=N/c1cn[nH]c1C(N)=O.
What is the InChIKey of 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SEUGUZPXLJUHQM-ACCUITESSA-N. The full InChI is InChI=1S/C8H14N6O/c1-3-14(4-2)13-11-6-5-10-12-7(6)8(9)15/h5H,3-4H2,1-2H3,(H2,9,15)(H,10,12)/b13-11+.
What are the key properties of 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide?
4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminodiazenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137309384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).