(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one

C17H15FN4O — CID 11301343

IUPAC(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2ncccc12
InChIInChI=1S/C17H15FN4O/c1-21(2)11-9-15(23)16-14-4-3-10-19-22(14)20-17(16)12-5-7-13(18)8-6-12/h3-11H,1-2H3/b11-9+
InChIKeyQKFZTUXJBCFGIR-PKNBQFBNSA-N
MW310.33 g/mol
LogP2.79
Rot. Bonds4

About (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one (PubChem CID 11301343) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one
PubChem CID11301343
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2ncccc12
InChIInChI=1S/C17H15FN4O/c1-21(2)11-9-15(23)16-14-4-3-10-19-22(14)20-17(16)12-5-7-13(18)8-6-12/h3-11H,1-2H3/b11-9+
InChIKeyQKFZTUXJBCFGIR-PKNBQFBNSA-N
XLogP2.79
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-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 (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one (CID 11301343) is (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one is CN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2ncccc12.
What is the InChIKey of (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one?
The InChIKey is QKFZTUXJBCFGIR-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-21(2)11-9-15(23)16-14-4-3-10-19-22(14)20-17(16)12-5-7-13(18)8-6-12/h3-11H,1-2H3/b11-9+.
What are the key properties of (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one has a molecular weight of 310.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 11301343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).