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

C18H17F2N5O — CID 141269035

IUPAC(3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(c2cc(-c3ncc[nH]3)n[nH]2)C1
InChIInChI=1S/C18H17F2N5O/c19-13-4-3-11(8-14(13)20)18(26)25-7-1-2-12(10-25)15-9-16(24-23-15)17-21-5-6-22-17/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,23,24)
InChIKeyHWKNDMROTSRHAA-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.10
Rot. Bonds3

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

(3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 141269035) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID141269035
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name(3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(c2cc(-c3ncc[nH]3)n[nH]2)C1
InChIInChI=1S/C18H17F2N5O/c19-13-4-3-11(8-14(13)20)18(26)25-7-1-2-12(10-25)15-9-16(24-23-15)17-21-5-6-22-17/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,23,24)
InChIKeyHWKNDMROTSRHAA-UHFFFAOYSA-N
XLogP3.10
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-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

(4-fluorophenyl)-[(3S)-3-[3-(2,4,6-trifluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141260766
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 53185294
(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141288565
[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
(4-fluorophenyl)-[(3S)-3-(3-phenylsulfanyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141269901
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
(3,4-difluorophenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118472541
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
(3-chloro-4-fluorophenyl)-[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 124568710

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 141269035) is (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCCC(c2cc(-c3ncc[nH]3)n[nH]2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is HWKNDMROTSRHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-13-4-3-11(8-14(13)20)18(26)25-7-1-2-12(10-25)15-9-16(24-23-15)17-21-5-6-22-17/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,23,24).
What are the key properties of (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-[3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 141269035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).