5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide

C9H16N6O — CID 135666434

IUPAC5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
SMILESCCCCN(C)/N=N/c1[nH]ncc1C(N)=O
InChIInChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)6-11-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+
InChIKeyYSCYSZRFENHQJP-BUHFOSPRSA-N
MW224.27 g/mol
LogP1.24
Rot. Bonds6

About 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide

5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide (PubChem CID 135666434) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
PubChem CID135666434
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
SMILESCCCCN(C)/N=N/c1[nH]ncc1C(N)=O
InChIInChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)6-11-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+
InChIKeyYSCYSZRFENHQJP-BUHFOSPRSA-N
XLogP1.24
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.24
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'}

Analyze 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide (CID 135666434) is 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide is CCCCN(C)/N=N/c1[nH]ncc1C(N)=O.
What is the InChIKey of 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is YSCYSZRFENHQJP-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)6-11-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+.
What are the key properties of 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 224.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[butyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 135666434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).