[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

C17H19F3N4O — CID 124692654

IUPAC[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4O/c1-11-9-13(21)5-7-23(11)16(25)15-6-8-24(22-15)14-4-2-3-12(10-14)17(18,19)20/h2-4,6,8,10-11,13H,5,7,9,21H2,1H3/t11-,13-/m0/s1
InChIKeyHSGMGIGYKZMFRH-AAEUAGOBSA-N
MW352.36 g/mol
LogP2.84
Rot. Bonds2

About [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (PubChem CID 124692654) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
PubChem CID124692654
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4O/c1-11-9-13(21)5-7-23(11)16(25)15-6-8-24(22-15)14-4-2-3-12(10-14)17(18,19)20/h2-4,6,8,10-11,13H,5,7,9,21H2,1H3/t11-,13-/m0/s1
InChIKeyHSGMGIGYKZMFRH-AAEUAGOBSA-N
XLogP2.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124694662
6-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113523
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 111435912
1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353697
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 119639477
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 99778992
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (CID 124692654) is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The canonical SMILES for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is C[C@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The InChIKey is HSGMGIGYKZMFRH-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-9-13(21)5-7-23(11)16(25)15-6-8-24(22-15)14-4-2-3-12(10-14)17(18,19)20/h2-4,6,8,10-11,13H,5,7,9,21H2,1H3/t11-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone has a molecular weight of 352.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 124692654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).