2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone

C12H15F4N3O — CID 141304274

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N1CCCCC1
InChIInChI=1S/C12H15F4N3O/c13-11(14)8-6-9(12(15)16)19(17-8)7-10(20)18-4-2-1-3-5-18/h6,11-12H,1-5,7H2
InChIKeyDAGSGTXZTFUGAZ-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.77
Rot. Bonds4

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 141304274) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID141304274
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N1CCCCC1
InChIInChI=1S/C12H15F4N3O/c13-11(14)8-6-9(12(15)16)19(17-8)7-10(20)18-4-2-1-3-5-18/h6,11-12H,1-5,7H2
InChIKeyDAGSGTXZTFUGAZ-UHFFFAOYSA-N
XLogP2.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone 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 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone (CID 141304274) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1nc(C(F)F)cc1C(F)F)N1CCCCC1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is DAGSGTXZTFUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c13-11(14)8-6-9(12(15)16)19(17-8)7-10(20)18-4-2-1-3-5-18/h6,11-12H,1-5,7H2.
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 293.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 141304274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).