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

C7H12N6O2 — CID 135545670

IUPAC5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
SMILESCN(CCO)/N=N/c1[nH]ncc1C(N)=O
InChIInChI=1S/C7H12N6O2/c1-13(2-3-14)12-11-7-5(6(8)15)4-9-10-7/h4,14H,2-3H2,1H3,(H2,8,15)(H,9,10)/b12-11+
InChIKeyKNUVBPMGQSKRFH-VAWYXSNFSA-N
MW212.21 g/mol
LogP-0.57
Rot. Bonds5

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

5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide (PubChem CID 135545670) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
PubChem CID135545670
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
SMILESCN(CCO)/N=N/c1[nH]ncc1C(N)=O
InChIInChI=1S/C7H12N6O2/c1-13(2-3-14)12-11-7-5(6(8)15)4-9-10-7/h4,14H,2-3H2,1H3,(H2,8,15)(H,9,10)/b12-11+
InChIKeyKNUVBPMGQSKRFH-VAWYXSNFSA-N
XLogP-0.57
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide (CID 135545670) is 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide is CN(CCO)/N=N/c1[nH]ncc1C(N)=O.
What is the InChIKey of 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KNUVBPMGQSKRFH-VAWYXSNFSA-N. The full InChI is InChI=1S/C7H12N6O2/c1-13(2-3-14)12-11-7-5(6(8)15)4-9-10-7/h4,14H,2-3H2,1H3,(H2,8,15)(H,9,10)/b12-11+.
What are the key properties of 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide?
5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[2-hydroxyethyl(methyl)amino]diazenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 135545670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).