[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

Related Compounds

3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117465772
(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 738722
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 51939239
methyl 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-2-carboxylate
CID 86919843
[3-(4-fluoro-3-methylphenyl)-1H-pyrazol-5-yl]-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110616572
(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 600139
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 94074907
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azetidine-2-carboxylic acid
CID 97274526
3-(3,4-difluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 62111842
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46446368
[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413180

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).