5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one

C14H12N6O2 — CID 135976590

IUPAC5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccncc1
InChIInChI=1S/C14H12N6O2/c1-22-11-4-7-16-8-10(11)12-13(14(21)20-18-12)19-17-9-2-5-15-6-3-9/h2-8H,1H3,(H2,18,20,21)/b19-17+
InChIKeyJVKATPMZMYXYSV-HTXNQAPBSA-N
MW296.29 g/mol
LogP2.58
Rot. Bonds4

About 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one

5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one (PubChem CID 135976590) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one
PubChem CID135976590
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccncc1
InChIInChI=1S/C14H12N6O2/c1-22-11-4-7-16-8-10(11)12-13(14(21)20-18-12)19-17-9-2-5-15-6-3-9/h2-8H,1H3,(H2,18,20,21)/b19-17+
InChIKeyJVKATPMZMYXYSV-HTXNQAPBSA-N
XLogP2.58
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one (CID 135976590) is 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one is COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccncc1.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is JVKATPMZMYXYSV-HTXNQAPBSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-22-11-4-7-16-8-10(11)12-13(14(21)20-18-12)19-17-9-2-5-15-6-3-9/h2-8H,1H3,(H2,18,20,21)/b19-17+.
What are the key properties of 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one?
5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 296.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).