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'}

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Related Compounds

3-pyrazin-2-yl-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
CID 152768318
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
CID 66556399
4-ethynyl-5-pyridin-2-yl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 54260131
(4E)-4-(1H-pyrrol-2-ylmethylidene)-3-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-5-one
CID 135723926
(4E)-3-[(4-chlorophenyl)methyl]-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
CID 135724294
(4E)-4-[(5-chloro-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 135724328
(4E)-3-[1-(4-chlorophenyl)ethyl]-4-(1H-pyrrol-2-ylmethylidene)-1H-pyrazol-5-one
CID 135724269
4-benzylidene-3-phenyl-1H-pyrazol-5-one
CID 85436313
4-[[4-[2-(ethylamino)ethyl]-5-methyl-3-pyridin-2-yl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770877
5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 74013405
(4E)-4-[[4-[(dimethylamino)methyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-3-yl-1H-pyrazol-5-one
CID 135724037
(4Z)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 135444712

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).