2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C19H21F3N4O — CID 133433624

IUPAC2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1)c1ccccc1
InChIInChI=1S/C19H21F3N4O/c1-18(2,14-6-4-3-5-7-14)17(27)26-12-10-25(11-13-26)16-9-8-15(23-24-16)19(20,21)22/h3-9H,10-13H2,1-2H3
InChIKeyMHWNEHXFUZEOQF-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.12
Rot. Bonds3

About 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 133433624) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID133433624
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1)c1ccccc1
InChIInChI=1S/C19H21F3N4O/c1-18(2,14-6-4-3-5-7-14)17(27)26-12-10-25(11-13-26)16-9-8-15(23-24-16)19(20,21)22/h3-9H,10-13H2,1-2H3
InChIKeyMHWNEHXFUZEOQF-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 133290882
cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 133433606
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333
1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 133419570
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
4-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 56554166
1-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 133466492
N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide
CID 155701537
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine
CID 133418446
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 122341421
1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 36561721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 133433624) is 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CC(C)(C(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is MHWNEHXFUZEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-18(2,14-6-4-3-5-7-14)17(27)26-12-10-25(11-13-26)16-9-8-15(23-24-16)19(20,21)22/h3-9H,10-13H2,1-2H3.
What are the key properties of 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 378.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 133433624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).