4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one

C15H13N5O2 — CID 135976626

IUPAC4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(-c3ccncc3)[nH][nH]c2=O)cc1
InChIInChI=1S/C15H13N5O2/c1-22-12-4-2-11(3-5-12)17-19-14-13(18-20-15(14)21)10-6-8-16-9-7-10/h2-9H,1H3,(H2,18,20,21)/b19-17+
InChIKeyCMJRGKYDMVQFTL-HTXNQAPBSA-N
MW295.30 g/mol
LogP3.19
Rot. Bonds4

About 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one

4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one (PubChem CID 135976626) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
PubChem CID135976626
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(-c3ccncc3)[nH][nH]c2=O)cc1
InChIInChI=1S/C15H13N5O2/c1-22-12-4-2-11(3-5-12)17-19-14-13(18-20-15(14)21)10-6-8-16-9-7-10/h2-9H,1H3,(H2,18,20,21)/b19-17+
InChIKeyCMJRGKYDMVQFTL-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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Related Compounds

N-(4-methoxyphenyl)-2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetamide
CID 6889870
(E)-N'-[3-(4-Methoxyphenyl)propenoyl]isonicotinohydrazide
CID 25032868
2-(3-methoxyanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 9724880
(Z)-3-(4-methoxyphenyl)-4-(2-(pyridin-3-yl)hydrazono)-1H-pyrazol-5(4H)-one
CID 135685787
N-(4-methoxyphenyl)-4-oxo-4-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]butanamide
CID 6889842
5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVd)
CID 126963299
5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 118715638
(Z)-4-(2-(3-(4-methoxypyridin-3-yl)-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzonitrile
CID 135976588
(Z)-3-(4-methoxypyridin-3-yl)-4-(2-(pyridin-3-yl)hydrazono)-1H-pyrazol-5(4H)-one
CID 135976589
(Z)-3-(4-methoxypyridin-3-yl)-4-(2-(pyridin-4-yl)hydrazono)-1H-pyrazol-5(4H)-one
CID 135976590
(Z)-4-(2-(4-methoxyphenyl)hydrazono)-3-(pyridin-2-yl)-1H-pyrazol-5(4H)-one
CID 135976624
(Z)-4-(2-(4-methoxyphenyl)hydrazono)-3-(pyridin-3-yl)-1H-pyrazol-5(4H)-one
CID 135976625

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one (CID 135976626) is 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one is COc1ccc(/N=N/c2c(-c3ccncc3)[nH][nH]c2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?
The InChIKey is CMJRGKYDMVQFTL-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-12-4-2-11(3-5-12)17-19-14-13(18-20-15(14)21)10-6-8-16-9-7-10/h2-9H,1H3,(H2,18,20,21)/b19-17+.
What are the key properties of 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?
4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-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 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).