2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C12H12F3N5O2 — CID 90517614

IUPAC2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C12H12F3N5O2/c1-8(11(22)16-7-12(13,14)15)20-10(21)4-3-9(18-20)19-6-2-5-17-19/h2-6,8H,7H2,1H3,(H,16,22)
InChIKeyYTXOIHVSWCRWPP-UHFFFAOYSA-N
MW315.25 g/mol
LogP0.67
Rot. Bonds4

About 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 90517614) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID90517614
Molecular FormulaC12H12F3N5O2
Molecular Weight315.25 g/mol
Exact Mass315.09
IUPAC Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C12H12F3N5O2/c1-8(11(22)16-7-12(13,14)15)20-10(21)4-3-9(18-20)19-6-2-5-17-19/h2-6,8H,7H2,1H3,(H,16,22)
InChIKeyYTXOIHVSWCRWPP-UHFFFAOYSA-N
XLogP0.67
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 90517614) is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YTXOIHVSWCRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-8(11(22)16-7-12(13,14)15)20-10(21)4-3-9(18-20)19-6-2-5-17-19/h2-6,8H,7H2,1H3,(H,16,22).
What are the key properties of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 315.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 90517614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).