5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide

C8H12N6O — CID 135459390

IUPAC5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
SMILESC=CCN(C)/N=N/c1[nH]ncc1C(N)=O
InChIInChI=1S/C8H12N6O/c1-3-4-14(2)13-12-8-6(7(9)15)5-10-11-8/h3,5H,1,4H2,2H3,(H2,9,15)(H,10,11)/b13-12+
InChIKeyOEZWEQYFSAITSH-OUKQBFOZSA-N
MW208.22 g/mol
LogP0.63
Rot. Bonds5

About 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide

5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide (PubChem CID 135459390) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
PubChem CID135459390
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
SMILESC=CCN(C)/N=N/c1[nH]ncc1C(N)=O
InChIInChI=1S/C8H12N6O/c1-3-4-14(2)13-12-8-6(7(9)15)5-10-11-8/h3,5H,1,4H2,2H3,(H2,9,15)(H,10,11)/b13-12+
InChIKeyOEZWEQYFSAITSH-OUKQBFOZSA-N
XLogP0.63
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.63
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': 'isolated_alkene', '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 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide (CID 135459390) is 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide is C=CCN(C)/N=N/c1[nH]ncc1C(N)=O.
What is the InChIKey of 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OEZWEQYFSAITSH-OUKQBFOZSA-N. The full InChI is InChI=1S/C8H12N6O/c1-3-4-14(2)13-12-8-6(7(9)15)5-10-11-8/h3,5H,1,4H2,2H3,(H2,9,15)(H,10,11)/b13-12+.
What are the key properties of 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[methyl(prop-2-enyl)amino]diazenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 135459390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).