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

C12H9N5O — CID 152768318

IUPAC3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
SMILESO=C1NN=C(c2cnccn2)C1=Cc1ccc[nH]1
InChIInChI=1S/C12H9N5O/c18-12-9(6-8-2-1-3-14-8)11(16-17-12)10-7-13-4-5-15-10/h1-7,14H,(H,17,18)
InChIKeyOPDQHGBGSJSWGT-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.72
Rot. Bonds2

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

3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one (PubChem CID 152768318) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
PubChem CID152768318
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
SMILESO=C1NN=C(c2cnccn2)C1=Cc1ccc[nH]1
InChIInChI=1S/C12H9N5O/c18-12-9(6-8-2-1-3-14-8)11(16-17-12)10-7-13-4-5-15-10/h1-7,14H,(H,17,18)
InChIKeyOPDQHGBGSJSWGT-UHFFFAOYSA-N
XLogP0.72
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
Methyl pyrazinylketone isonicotinoyl hydrazone
CID 14988764
6-methyl-N'-[(Z)-1H-pyrrol-2-ylmethylidene]pyridine-3-carbohydrazide
CID 135476855
5-methyl-2-phenyl-4-(1H-pyrrol-2-ylmethylene)-2,4-dihydro-3H-pyrazol-3-one
CID 135490403
1H,6H,7H-pyrrolo[2,3-d]pyridazin-7-one
CID 135667596
(4Z)-4-[[4-[(dimethylamino)methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 136109051
2-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 137174948
3-bromo-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 137226391
2-bromo-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 137226421

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
The IUPAC name of 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one (CID 152768318) is 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one.
What is the SMILES notation for 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
The canonical SMILES for 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one is O=C1NN=C(c2cnccn2)C1=Cc1ccc[nH]1.
What is the InChIKey of 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
The InChIKey is OPDQHGBGSJSWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-12-9(6-8-2-1-3-14-8)11(16-17-12)10-7-13-4-5-15-10/h1-7,14H,(H,17,18).
What are the key properties of 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one?
3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one has a molecular weight of 239.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one is sourced from PubChem (CID 152768318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).