[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

C17H19F2N3O — CID 45235080

IUPAC[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC(CCc2ccc(F)cc2F)C1
InChIInChI=1S/C17H19F2N3O/c18-15-6-5-13(16(19)8-15)4-3-12-2-1-7-22(11-12)17(23)14-9-20-21-10-14/h5-6,8-10,12H,1-4,7,11H2,(H,20,21)
InChIKeyGTTPOYPHPZLQCE-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.17
Rot. Bonds4

About [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 45235080) has the molecular formula C17H19F2N3O and a molecular weight of 319.35 g/mol. Its IUPAC name is [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID45235080
Molecular FormulaC17H19F2N3O
Molecular Weight319.35 g/mol
Exact Mass319.15
IUPAC Name[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC(CCc2ccc(F)cc2F)C1
InChIInChI=1S/C17H19F2N3O/c18-15-6-5-13(16(19)8-15)4-3-12-2-1-7-22(11-12)17(23)14-9-20-21-10-14/h5-6,8-10,12H,1-4,7,11H2,(H,20,21)
InChIKeyGTTPOYPHPZLQCE-UHFFFAOYSA-N
XLogP3.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-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-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 122703692
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56879396
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(1H-pyrazol-4-yl)carbonyl]piperidine
CID 117858169
US9994546, Example 112
CID 118297952
N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 39977902
[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45176805
1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-[2-(3-fluorophenyl)ethyl]piperidine
CID 45251125
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(1H-pyrazol-4-yl)prop-2-enamide
CID 52915265
N-{1-Benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-YL}-1H-pyrazole-4-carboxamide
CID 91922829
[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 6733270

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 45235080) is [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCCC(CCc2ccc(F)cc2F)C1.
What is the InChIKey of [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is GTTPOYPHPZLQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c18-15-6-5-13(16(19)8-15)4-3-12-2-1-7-22(11-12)17(23)14-9-20-21-10-14/h5-6,8-10,12H,1-4,7,11H2,(H,20,21).
What are the key properties of [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 319.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 45235080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).