2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one

C12H13F3N4O — CID 99819149

IUPAC2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)n1ccc(Cn2nc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C12H13F3N4O/c1-8(2)18-6-5-9(16-18)7-19-11(20)4-3-10(17-19)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKeyFPNWTMIVBRRCLU-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.09
Rot. Bonds3

About 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one

2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 99819149) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID99819149
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)n1ccc(Cn2nc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C12H13F3N4O/c1-8(2)18-6-5-9(16-18)7-19-11(20)4-3-10(17-19)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKeyFPNWTMIVBRRCLU-UHFFFAOYSA-N
XLogP2.09
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492308
1-methyl-2-oxo-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 71808010
N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-N-methyl-3-sulfanylpropanamide
CID 177680889
1-[3-(Trifluoromethyl)pyrazol-1-yl]ethanone
CID 138984067
7-((2S,5R)-4-(1-(1-(2,2-difluoroethyl)-1H-pyrazol-5-yl)ethyl)-2,5-diethylpiperazin-1-yl)-4-methyl-2,4-dihydro-5H-pyrazolo[4,3-b]pyridin-5-one
CID 172637045
1-[3-(Difluoromethyl)pyrazol-1-yl]ethanone
CID 154716540
N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
CID 39948535
n-(2-Cyanoethyl)-N-methyl-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 53527215
4-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-2-ethyl-1-isopropylpiperazine
CID 72914077
N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide
CID 75444492
N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 99815969
1-(2-Methylpropyl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazin-2-one
CID 132297976

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one (CID 99819149) is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one is CC(C)n1ccc(Cn2nc(C(F)(F)F)ccc2=O)n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is FPNWTMIVBRRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-8(2)18-6-5-9(16-18)7-19-11(20)4-3-10(17-19)12(13,14)15/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 286.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 99819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).