[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone

C9H9ClF3N3O2 — CID 74231360

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC(O)C1
InChIInChI=1S/C9H9ClF3N3O2/c1-15-6(8(18)16-2-4(17)3-16)5(10)7(14-15)9(11,12)13/h4,17H,2-3H2,1H3
InChIKeyXBJRVXUFDRJVAG-UHFFFAOYSA-N
MW283.64 g/mol
LogP0.91
Rot. Bonds1

About [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 74231360) has the molecular formula C9H9ClF3N3O2 and a molecular weight of 283.64 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID74231360
Molecular FormulaC9H9ClF3N3O2
Molecular Weight283.64 g/mol
Exact Mass283.03
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC(O)C1
InChIInChI=1S/C9H9ClF3N3O2/c1-15-6(8(18)16-2-4(17)3-16)5(10)7(14-15)9(11,12)13/h4,17H,2-3H2,1H3
InChIKeyXBJRVXUFDRJVAG-UHFFFAOYSA-N
XLogP0.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 74231360) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC(O)C1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is XBJRVXUFDRJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O2/c1-15-6(8(18)16-2-4(17)3-16)5(10)7(14-15)9(11,12)13/h4,17H,2-3H2,1H3.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 283.64 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 74231360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).