4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide

C8H12N6O2 — CID 137296911

IUPAC4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1/N=N/N1CCOCC1
InChIInChI=1S/C8H12N6O2/c9-8(15)7-6(5-10-12-7)11-13-14-1-3-16-4-2-14/h5H,1-4H2,(H2,9,15)(H,10,12)/b13-11+
InChIKeySTVGMFKDKHEFRS-ACCUITESSA-N
MW224.22 g/mol
LogP-0.16
Rot. Bonds3

About 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide

4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide (PubChem CID 137296911) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide
PubChem CID137296911
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1/N=N/N1CCOCC1
InChIInChI=1S/C8H12N6O2/c9-8(15)7-6(5-10-12-7)11-13-14-1-3-16-4-2-14/h5H,1-4H2,(H2,9,15)(H,10,12)/b13-11+
InChIKeySTVGMFKDKHEFRS-ACCUITESSA-N
XLogP-0.16
TPSA108.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide (CID 137296911) is 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1/N=N/N1CCOCC1.
What is the InChIKey of 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is STVGMFKDKHEFRS-ACCUITESSA-N. The full InChI is InChI=1S/C8H12N6O2/c9-8(15)7-6(5-10-12-7)11-13-14-1-3-16-4-2-14/h5H,1-4H2,(H2,9,15)(H,10,12)/b13-11+.
What are the key properties of 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide?
4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-yldiazenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137296911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).