2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide

C20H20F3N5O3 — CID 56724630

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)n1nc(-n2nc(C)cc2C)ccc1=O
InChIInChI=1S/C20H20F3N5O3/c1-11-9-12(2)27(25-11)17-7-8-18(29)28(26-17)13(3)19(30)24-15-10-14(20(21,22)23)5-6-16(15)31-4/h5-10,13H,1-4H3,(H,24,30)
InChIKeyIRAVFOJGKBNJEZ-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.27
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 56724630) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide
PubChem CID56724630
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)n1nc(-n2nc(C)cc2C)ccc1=O
InChIInChI=1S/C20H20F3N5O3/c1-11-9-12(2)27(25-11)17-7-8-18(29)28(26-17)13(3)19(30)24-15-10-14(20(21,22)23)5-6-16(15)31-4/h5-10,13H,1-4H3,(H,24,30)
InChIKeyIRAVFOJGKBNJEZ-UHFFFAOYSA-N
XLogP3.27
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide (CID 56724630) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide is COc1ccc(C(F)(F)F)cc1NC(=O)C(C)n1nc(-n2nc(C)cc2C)ccc1=O.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IRAVFOJGKBNJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-11-9-12(2)27(25-11)17-7-8-18(29)28(26-17)13(3)19(30)24-15-10-14(20(21,22)23)5-6-16(15)31-4/h5-10,13H,1-4H3,(H,24,30).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 435.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 56724630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).