3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide

C16H16F3N3O2 — CID 56812407

IUPAC3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C16H16F3N3O2/c1-9-10(2)21-22-15(24)13(9)14(23)20-8-7-11-3-5-12(6-4-11)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyIZURAWBJBBZBCT-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.38
Rot. Bonds4

About 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide

3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide (PubChem CID 56812407) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
PubChem CID56812407
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C16H16F3N3O2/c1-9-10(2)21-22-15(24)13(9)14(23)20-8-7-11-3-5-12(6-4-11)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyIZURAWBJBBZBCT-UHFFFAOYSA-N
XLogP2.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 167936191
N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 43428095
3,4-dimethyl-6-oxo-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazine-5-carboxamide
CID 112841508
3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 46975020
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 95377454
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56821703
3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 60975575
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 17442920
3-hydroxy-1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 90342550

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide (CID 56812407) is 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The InChIKey is IZURAWBJBBZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9-10(2)21-22-15(24)13(9)14(23)20-8-7-11-3-5-12(6-4-11)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 56812407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).