6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C15H12F3N3O — CID 113200265

IUPAC6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2CC2)nn1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)10-3-5-11(6-4-10)19-14(22)13-8-7-12(20-21-13)9-1-2-9/h3-9H,1-2H2,(H,19,22)
InChIKeyPSWVQFDXDXKVQS-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.63
Rot. Bonds3

About 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 113200265) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID113200265
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2CC2)nn1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)10-3-5-11(6-4-10)19-14(22)13-8-7-12(20-21-13)9-1-2-9/h3-9H,1-2H2,(H,19,22)
InChIKeyPSWVQFDXDXKVQS-UHFFFAOYSA-N
XLogP3.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]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

Related Compounds

2-cyclopropyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854074
N-(4-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200315
6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 113200278
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 113200317
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
5-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 171616756
N-(3-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200314
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109127184

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 113200265) is 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2CC2)nn1.
What is the InChIKey of 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is PSWVQFDXDXKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)10-3-5-11(6-4-10)19-14(22)13-8-7-12(20-21-13)9-1-2-9/h3-9H,1-2H2,(H,19,22).
What are the key properties of 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 113200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).