3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one

C13H10N4O — CID 139942560

IUPAC3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
SMILESO=C1NN=C(c2ccccn2)C1=Cc1ccc[nH]1
InChIInChI=1S/C13H10N4O/c18-13-10(8-9-4-3-7-14-9)12(16-17-13)11-5-1-2-6-15-11/h1-8,14H,(H,17,18)
InChIKeyUWPIUBHGSVUSAU-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.33
Rot. Bonds2

About 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one

3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one (PubChem CID 139942560) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
PubChem CID139942560
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
SMILESO=C1NN=C(c2ccccn2)C1=Cc1ccc[nH]1
InChIInChI=1S/C13H10N4O/c18-13-10(8-9-4-3-7-14-9)12(16-17-13)11-5-1-2-6-15-11/h1-8,14H,(H,17,18)
InChIKeyUWPIUBHGSVUSAU-UHFFFAOYSA-N
XLogP1.33
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-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

6-(4-fluorophenyl)-4-(2-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811496
N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-4-carbohydrazide
CID 6862523
6-Pyridin-2-ylmethyl-pyridazin-3-ol
CID 3580136
5-pyridin-4-yl-1H-pyrrole-3-carboxylic Acid Amide
CID 49788936
N'-(1H-Pyrrol-2-ylmethylene)isonicotinohydrazide
CID 135444093
4-[4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrol-2-ylmethylene]-5-pyrazin-2-yl-2,4-dihydro-pyrazol-3-one
CID 136048734
3-cyclopropyl-N'-[(1E)-pyridin-2-ylmethylene]-1H-pyrazole-5-carbohydrazide
CID 6897521
2-methyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788553
2-ethyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788554
3-methyl-N'-(1H-pyrrol-2-ylmethylene)benzohydrazide
CID 135401350
N'-[(E)-1H-pyrrol-2-ylmethylidene]pyridine-3-carbohydrazide
CID 135450850
4-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-(pyrazin-2-yl)-1H-pyrazol-5(4H)-one
CID 135532699

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
The IUPAC name of 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one (CID 139942560) is 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one.
What is the SMILES notation for 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
The canonical SMILES for 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one is O=C1NN=C(c2ccccn2)C1=Cc1ccc[nH]1.
What is the InChIKey of 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
The InChIKey is UWPIUBHGSVUSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-10(8-9-4-3-7-14-9)12(16-17-13)11-5-1-2-6-15-11/h1-8,14H,(H,17,18).
What are the key properties of 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one has a molecular weight of 238.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one is sourced from PubChem (CID 139942560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).