6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C15H14F3N3O2 — CID 42162095

IUPAC6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C15H14F3N3O2/c1-2-8-21-13(22)7-6-12(20-21)14(23)19-11-5-3-4-10(9-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,23)
InChIKeyQAYCANDZSFPRBS-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.92
Rot. Bonds4

About 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 42162095) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID42162095
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C15H14F3N3O2/c1-2-8-21-13(22)7-6-12(20-21)14(23)19-11-5-3-4-10(9-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,23)
InChIKeyQAYCANDZSFPRBS-UHFFFAOYSA-N
XLogP2.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730757
6-oxo-1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-N-phenylpyridazine-3-carboxamide
CID 26845038
4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
CID 850813
3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86885102
1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 31483011
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 34757785
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 42162095) is 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is QAYCANDZSFPRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-2-8-21-13(22)7-6-12(20-21)14(23)19-11-5-3-4-10(9-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,23).
What are the key properties of 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 42162095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).