(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide

C17H19F3N4O — CID 120639665

IUPAC(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1
InChIInChI=1S/C17H19F3N4O/c1-11-8-12(6-7-21-11)16(25)23-14-9-22-24(10-14)15-4-2-13(3-5-15)17(18,19)20/h2-5,9-12,21H,6-8H2,1H3,(H,23,25)/t11-,12-/m0/s1
InChIKeyZJPUOQHHDYCZLQ-RYUDHWBXSA-N
MW352.36 g/mol
LogP3.22
Rot. Bonds3

About (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 120639665) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID120639665
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1
InChIInChI=1S/C17H19F3N4O/c1-11-8-12(6-7-21-11)16(25)23-14-9-22-24(10-14)15-4-2-13(3-5-15)17(18,19)20/h2-5,9-12,21H,6-8H2,1H3,(H,23,25)/t11-,12-/m0/s1
InChIKeyZJPUOQHHDYCZLQ-RYUDHWBXSA-N
XLogP3.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120625531
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785591
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106740207
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 110014624
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
3-[methyl-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122087391
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide (CID 120639665) is (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is ZJPUOQHHDYCZLQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-8-12(6-7-21-11)16(25)23-14-9-22-24(10-14)15-4-2-13(3-5-15)17(18,19)20/h2-5,9-12,21H,6-8H2,1H3,(H,23,25)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120639665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).