4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one

C16H15N5O3 — CID 135976631

IUPAC4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)cc1
InChIInChI=1S/C16H15N5O3/c1-23-11-5-3-10(4-6-11)18-20-15-14(19-21-16(15)22)12-9-17-8-7-13(12)24-2/h3-9H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyLFXQDIJNEDMSCB-CZIZESTLSA-N
MW325.33 g/mol
LogP3.20
Rot. Bonds5

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

4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one (PubChem CID 135976631) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
PubChem CID135976631
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)cc1
InChIInChI=1S/C16H15N5O3/c1-23-11-5-3-10(4-6-11)18-20-15-14(19-21-16(15)22)12-9-17-8-7-13(12)24-2/h3-9H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyLFXQDIJNEDMSCB-CZIZESTLSA-N
XLogP3.20
TPSA104.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.20
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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Related Compounds

N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5219821
N-(4-methoxyphenyl)-2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetamide
CID 6889870
(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)-3-(4-methoxypyridin-3-yl)-4-(2-(4-morpholinophenyl)hydrazono)-1H-pyrazol-5(4H)-one
CID 135976592
(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-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one (CID 135976631) is 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one is COc1ccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The InChIKey is LFXQDIJNEDMSCB-CZIZESTLSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-23-11-5-3-10(4-6-11)18-20-15-14(19-21-16(15)22)12-9-17-8-7-13(12)24-2/h3-9H,1-2H3,(H2,19,21,22)/b20-18+.
What are the key properties of 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one has a molecular weight of 325.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).