1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone

C9H15N5O3 — CID 137296922

IUPAC1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1/N=N/N(CCO)CCO
InChIInChI=1S/C9H15N5O3/c1-7(17)8-6-10-11-9(8)12-13-14(2-4-15)3-5-16/h6,15-16H,2-5H2,1H3,(H,10,11)/b13-12+
InChIKeyYAEKDBFRCGTXPC-OUKQBFOZSA-N
MW241.25 g/mol
LogP-0.10
Rot. Bonds7

About 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone

1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone (PubChem CID 137296922) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone
PubChem CID137296922
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1/N=N/N(CCO)CCO
InChIInChI=1S/C9H15N5O3/c1-7(17)8-6-10-11-9(8)12-13-14(2-4-15)3-5-16/h6,15-16H,2-5H2,1H3,(H,10,11)/b13-12+
InChIKeyYAEKDBFRCGTXPC-OUKQBFOZSA-N
XLogP-0.10
TPSA114.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone (CID 137296922) is 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone is CC(=O)c1cn[nH]c1/N=N/N(CCO)CCO.
What is the InChIKey of 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone?
The InChIKey is YAEKDBFRCGTXPC-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-7(17)8-6-10-11-9(8)12-13-14(2-4-15)3-5-16/h6,15-16H,2-5H2,1H3,(H,10,11)/b13-12+.
What are the key properties of 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone?
1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone has a molecular weight of 241.25 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 137296922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).