(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide

C16H17F3N4O — CID 119748779

IUPAC(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-8-10-21-23(14)12-6-4-11(5-7-12)22-15(24)13-3-1-2-9-20-13/h4-8,10,13,20H,1-3,9H2,(H,22,24)/t13-/m0/s1
InChIKeyKNVDTHZXPCVEHB-ZDUSSCGKSA-N
MW338.33 g/mol
LogP2.97
Rot. Bonds3

About (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide

(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide (PubChem CID 119748779) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
PubChem CID119748779
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)14-8-10-21-23(14)12-6-4-11(5-7-12)22-15(24)13-3-1-2-9-20-13/h4-8,10,13,20H,1-3,9H2,(H,22,24)/t13-/m0/s1
InChIKeyKNVDTHZXPCVEHB-ZDUSSCGKSA-N
XLogP2.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809385
(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809386
(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120625531
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-2-carboxamide
CID 119314167
N-[4-(trifluoromethylsulfanyl)phenyl]azepane-2-carboxamide
CID 64563218
N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119270698

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide (CID 119748779) is (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide?
The InChIKey is KNVDTHZXPCVEHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)14-8-10-21-23(14)12-6-4-11(5-7-12)22-15(24)13-3-1-2-9-20-13/h4-8,10,13,20H,1-3,9H2,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide?
(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119748779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).