6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide

C15H15ClFN3O — CID 61040531

IUPAC6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-9(2)14(10-3-5-11(17)6-4-10)18-15(21)12-7-8-13(16)20-19-12/h3-9,14H,1-2H3,(H,18,21)
InChIKeyGLQAJRPDBJKUSI-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.40
Rot. Bonds4

About 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide

6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide (PubChem CID 61040531) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide
PubChem CID61040531
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-9(2)14(10-3-5-11(17)6-4-10)18-15(21)12-7-8-13(16)20-19-12/h3-9,14H,1-2H3,(H,18,21)
InChIKeyGLQAJRPDBJKUSI-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide 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 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide (CID 61040531) is 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide is CC(C)C(NC(=O)c1ccc(Cl)nn1)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide?
The InChIKey is GLQAJRPDBJKUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-9(2)14(10-3-5-11(17)6-4-10)18-15(21)12-7-8-13(16)20-19-12/h3-9,14H,1-2H3,(H,18,21).
What are the key properties of 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide?
6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61040531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).