[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone

C17H19F2N3O — CID 110676156

IUPAC[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(-c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C17H19F2N3O/c1-10-4-3-5-11(2)22(10)17(23)16-9-15(20-21-16)12-6-7-13(18)14(19)8-12/h6-11H,3-5H2,1-2H3,(H,20,21)
InChIKeyMUPUKCMFVOXAHA-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.76
Rot. Bonds2

About [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone

[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 110676156) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID110676156
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(-c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C17H19F2N3O/c1-10-4-3-5-11(2)22(10)17(23)16-9-15(20-21-16)12-6-7-13(18)14(19)8-12/h6-11H,3-5H2,1-2H3,(H,20,21)
InChIKeyMUPUKCMFVOXAHA-UHFFFAOYSA-N
XLogP3.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-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 [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone (CID 110676156) is [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1cc(-c2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is MUPUKCMFVOXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-10-4-3-5-11(2)22(10)17(23)16-9-15(20-21-16)12-6-7-13(18)14(19)8-12/h6-11H,3-5H2,1-2H3,(H,20,21).
What are the key properties of [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 110676156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).