(4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one

C19H24N6O — CID 135724099

IUPAC(4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one
SMILESCCN(CC)Cc1c(C)[nH]c(/C=C2/C(=O)NN=C2c2ccnnc2)c1C
InChIInChI=1S/C19H24N6O/c1-5-25(6-2)11-16-12(3)17(22-13(16)4)9-15-18(23-24-19(15)26)14-7-8-20-21-10-14/h7-10,22H,5-6,11H2,1-4H3,(H,24,26)/b15-9+
InChIKeyVZPHWGQTQQYFHB-OQLLNIDSSA-N
MW352.44 g/mol
LogP2.18
Rot. Bonds6

About (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one

(4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one (PubChem CID 135724099) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one
PubChem CID135724099
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one
SMILESCCN(CC)Cc1c(C)[nH]c(/C=C2/C(=O)NN=C2c2ccnnc2)c1C
InChIInChI=1S/C19H24N6O/c1-5-25(6-2)11-16-12(3)17(22-13(16)4)9-15-18(23-24-19(15)26)14-7-8-20-21-10-14/h7-10,22H,5-6,11H2,1-4H3,(H,24,26)/b15-9+
InChIKeyVZPHWGQTQQYFHB-OQLLNIDSSA-N
XLogP2.18
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one?
The IUPAC name of (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one (CID 135724099) is (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one.
What is the SMILES notation for (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one?
The canonical SMILES for (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one is CCN(CC)Cc1c(C)[nH]c(/C=C2/C(=O)NN=C2c2ccnnc2)c1C.
What is the InChIKey of (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one?
The InChIKey is VZPHWGQTQQYFHB-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H24N6O/c1-5-25(6-2)11-16-12(3)17(22-13(16)4)9-15-18(23-24-19(15)26)14-7-8-20-21-10-14/h7-10,22H,5-6,11H2,1-4H3,(H,24,26)/b15-9+.
What are the key properties of (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one?
(4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one has a molecular weight of 352.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[4-(diethylaminomethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridazin-4-yl-1H-pyrazol-5-one is sourced from PubChem (CID 135724099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).