1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C18H20F3N3O — CID 95399020

IUPAC1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)15-6-2-1-5-14(15)8-7-13-4-3-11-24(12-13)17(25)16-9-10-22-23-16/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,22,23)/t13-/m1/s1
InChIKeyUDAWSACMQVMNEG-CYBMUJFWSA-N
MW351.37 g/mol
LogP3.91
Rot. Bonds4

About 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 95399020) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID95399020
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)15-6-2-1-5-14(15)8-7-13-4-3-11-24(12-13)17(25)16-9-10-22-23-16/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,22,23)/t13-/m1/s1
InChIKeyUDAWSACMQVMNEG-CYBMUJFWSA-N
XLogP3.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
(4-methyl-1H-pyrrol-2-yl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95476360
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56880036
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
thiadiazol-4-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 42122916
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
2-pyridin-3-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56881048
1,3-thiazol-4-yl-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95532388
(6-amino-3-pyridinyl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95551304
(3-methylimidazol-4-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56867190

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 95399020) is 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is UDAWSACMQVMNEG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F3N3O/c19-18(20,21)15-6-2-1-5-14(15)8-7-13-4-3-11-24(12-13)17(25)16-9-10-22-23-16/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,22,23)/t13-/m1/s1.
What are the key properties of 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 351.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95399020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).