N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H12F3N5O2 — CID 126839867

IUPACN-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-5-8(12(13,14)15)17-20(7)6-10(21)16-9-3-4-11(22)19(2)18-9/h3-5H,6H2,1-2H3,(H,16,18,21)
InChIKeyVCSJYVCEJJCMKR-UHFFFAOYSA-N
MW315.26 g/mol
LogP0.94
Rot. Bonds3

About N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 126839867) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID126839867
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC NameN-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-5-8(12(13,14)15)17-20(7)6-10(21)16-9-3-4-11(22)19(2)18-9/h3-5H,6H2,1-2H3,(H,16,18,21)
InChIKeyVCSJYVCEJJCMKR-UHFFFAOYSA-N
XLogP0.94
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 126839867) is N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(=O)n(C)n1.
What is the InChIKey of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VCSJYVCEJJCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-7-5-8(12(13,14)15)17-20(7)6-10(21)16-9-3-4-11(22)19(2)18-9/h3-5H,6H2,1-2H3,(H,16,18,21).
What are the key properties of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 315.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 126839867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).