3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C13H18F3N3O — CID 95603326

IUPAC3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)CC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-10-7-17-18(8-10)9-11-4-2-3-5-19(11)12(20)6-13(14,15)16/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyPJSFZNHAYCILQG-LLVKDONJSA-N
MW289.30 g/mol
LogP2.53
Rot. Bonds3

About 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 95603326) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID95603326
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)CC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-10-7-17-18(8-10)9-11-4-2-3-5-19(11)12(20)6-13(14,15)16/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyPJSFZNHAYCILQG-LLVKDONJSA-N
XLogP2.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-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 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 95603326) is 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one is Cc1cnn(C[C@H]2CCCCN2C(=O)CC(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is PJSFZNHAYCILQG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-10-7-17-18(8-10)9-11-4-2-3-5-19(11)12(20)6-13(14,15)16/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1.
What are the key properties of 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 289.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95603326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).