3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one

C12H16F3N3O — CID 157183170

IUPAC3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one
SMILESCN1CC(CCC(=O)c2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O/c1-17-5-8(6-17)3-4-10(19)9-7-18(2)16-11(9)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeyKPJDIRKGSICYPO-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.96
Rot. Bonds4

About 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one

3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one (PubChem CID 157183170) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one
PubChem CID157183170
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one
SMILESCN1CC(CCC(=O)c2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O/c1-17-5-8(6-17)3-4-10(19)9-7-18(2)16-11(9)12(13,14)15/h7-8H,3-6H2,1-2H3
InChIKeyKPJDIRKGSICYPO-UHFFFAOYSA-N
XLogP1.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-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

[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95292687
N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 48861592
1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78890303
3-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 154848750
N-[3-(cyclopropylmethoxy)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008797
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95589917
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95758998
N-(3-hydroxy-4-methylpentyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 111460989
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95341824
2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687382

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one (CID 157183170) is 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one is CN1CC(CCC(=O)c2cn(C)nc2C(F)(F)F)C1.
What is the InChIKey of 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
The InChIKey is KPJDIRKGSICYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-17-5-8(6-17)3-4-10(19)9-7-18(2)16-11(9)12(13,14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one?
3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one has a molecular weight of 275.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylazetidin-3-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 157183170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).