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

C15H13N5O2 — CID 135976660

IUPAC5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C15H13N5O2/c1-22-12-7-8-16-9-11(12)13-14(15(21)20-18-13)19-17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20,21)/b19-17+
InChIKeyNPLOHUPMKKUYFK-HTXNQAPBSA-N
MW295.30 g/mol
LogP3.19
Rot. Bonds4

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

5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one (PubChem CID 135976660) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
PubChem CID135976660
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C15H13N5O2/c1-22-12-7-8-16-9-11(12)13-14(15(21)20-18-13)19-17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20,21)/b19-17+
InChIKeyNPLOHUPMKKUYFK-HTXNQAPBSA-N
XLogP3.19
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.19
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 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one (CID 135976660) is 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one is COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
The InChIKey is NPLOHUPMKKUYFK-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-12-7-8-16-9-11(12)13-14(15(21)20-18-13)19-17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20,21)/b19-17+.
What are the key properties of 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one has a molecular weight of 295.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).