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

C15H13N5O2 — CID 135685787

IUPAC5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)cc1
InChIInChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)13-14(15(21)20-18-13)19-17-11-3-2-8-16-9-11/h2-9H,1H3,(H2,18,20,21)/b19-17+
InChIKeyKRHWSBXYWJHICK-HTXNQAPBSA-N
MW295.30 g/mol
LogP3.19
Rot. Bonds4

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

5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one (PubChem CID 135685787) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one
PubChem CID135685787
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)cc1
InChIInChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)13-14(15(21)20-18-13)19-17-11-3-2-8-16-9-11/h2-9H,1H3,(H2,18,20,21)/b19-17+
InChIKeyKRHWSBXYWJHICK-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'}

Analyze 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
3-(2-methoxyphenyl)-N-3-pyridinylacrylamide
CID 895797
(E)-N-(2-chloropyridin-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 935096
N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide
CID 4827360
N'-[2-(4-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 5099490
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
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
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 5331161
4-methoxy-N'-(3-pyridinylmethylene)benzohydrazide
CID 6870620

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one (CID 135685787) is 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one is COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is KRHWSBXYWJHICK-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)13-14(15(21)20-18-13)19-17-11-3-2-8-16-9-11/h2-9H,1H3,(H2,18,20,21)/b19-17+.
What are the key properties of 5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
5-(4-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-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-methoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135685787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).