3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one

C15H22F3N3O2 — CID 143443375

IUPAC3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCc1c(C(F)(F)F)nn(CCC(=O)N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C15H22F3N3O2/c1-10-11(2)21(19-13(10)15(16,17)18)7-4-12(22)20-8-5-14(3,23)6-9-20/h23H,4-9H2,1-3H3
InChIKeyBCMYNWZNJWLIDS-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.28
Rot. Bonds3

About 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one

3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one (PubChem CID 143443375) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
PubChem CID143443375
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCc1c(C(F)(F)F)nn(CCC(=O)N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C15H22F3N3O2/c1-10-11(2)21(19-13(10)15(16,17)18)7-4-12(22)20-8-5-14(3,23)6-9-20/h23H,4-9H2,1-3H3
InChIKeyBCMYNWZNJWLIDS-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one (CID 143443375) is 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one is Cc1c(C(F)(F)F)nn(CCC(=O)N2CCC(C)(O)CC2)c1C.
What is the InChIKey of 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is BCMYNWZNJWLIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-10-11(2)21(19-13(10)15(16,17)18)7-4-12(22)20-8-5-14(3,23)6-9-20/h23H,4-9H2,1-3H3.
What are the key properties of 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 333.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 143443375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).