[1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

C22H22FN3O2 — CID 16677759

IUPAC[1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C22H22FN3O2/c23-19-6-8-20(9-7-19)26-15-18(14-24-26)22(27)25-12-10-21(11-13-25)28-16-17-4-2-1-3-5-17/h1-9,14-15,21H,10-13,16H2
InChIKeyJZZNVAGRJDFPPP-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.83
Rot. Bonds5

About [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

[1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 16677759) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID16677759
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C22H22FN3O2/c23-19-6-8-20(9-7-19)26-15-18(14-24-26)22(27)25-12-10-21(11-13-25)28-16-17-4-2-1-3-5-17/h1-9,14-15,21H,10-13,16H2
InChIKeyJZZNVAGRJDFPPP-UHFFFAOYSA-N
XLogP3.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-Fluorophenyl)methoxy]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259513
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442099
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 71086830
1-(4-cyano-2-fluorophenyl)-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086882
1-(4-cyanophenyl)-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71087011
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 71087052
1-(3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442149
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442151
1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442209
1-(4-cyano-3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442210

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 16677759) is [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is O=C(c1cnn(-c2ccc(F)cc2)c1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is JZZNVAGRJDFPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-19-6-8-20(9-7-19)26-15-18(14-24-26)22(27)25-12-10-21(11-13-25)28-16-17-4-2-1-3-5-17/h1-9,14-15,21H,10-13,16H2.
What are the key properties of [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 379.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 16677759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).