[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C16H15F4N3O — CID 124751149

IUPAC[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N1CCCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H15F4N3O/c17-11-5-3-4-10(8-11)13-6-1-2-7-23(13)15(24)12-9-14(22-21-12)16(18,19)20/h3-5,8-9,13H,1-2,6-7H2,(H,21,22)/t13-/m1/s1
InChIKeyFXTISYQXRYFRQA-CYBMUJFWSA-N
MW341.31 g/mol
LogP3.93
Rot. Bonds2

About [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 124751149) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID124751149
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N1CCCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H15F4N3O/c17-11-5-3-4-10(8-11)13-6-1-2-7-23(13)15(24)12-9-14(22-21-12)16(18,19)20/h3-5,8-9,13H,1-2,6-7H2,(H,21,22)/t13-/m1/s1
InChIKeyFXTISYQXRYFRQA-CYBMUJFWSA-N
XLogP3.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 146103274
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
[2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 165422421
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95278877
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[(2R)-2-(3-methylphenyl)azepan-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 99808935
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 91839043

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 124751149) is [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(C(F)(F)F)[nH]n1)N1CCCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is FXTISYQXRYFRQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-11-5-3-4-10(8-11)13-6-1-2-7-23(13)15(24)12-9-14(22-21-12)16(18,19)20/h3-5,8-9,13H,1-2,6-7H2,(H,21,22)/t13-/m1/s1.
What are the key properties of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 341.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 124751149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).