(2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide

C12H17F3N4O — CID 120639661

IUPAC(2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1
InChIInChI=1S/C12H17F3N4O/c1-8-6-9(2-4-16-8)11(20)17-10-3-5-19(18-10)7-12(13,14)15/h3,5,8-9,16H,2,4,6-7H2,1H3,(H,17,18,20)/t8-,9-/m0/s1
InChIKeyMGHFRWOGOKZIIN-IUCAKERBSA-N
MW290.29 g/mol
LogP1.77
Rot. Bonds3

About (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 120639661) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide
PubChem CID120639661
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name(2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1
InChIInChI=1S/C12H17F3N4O/c1-8-6-9(2-4-16-8)11(20)17-10-3-5-19(18-10)7-12(13,14)15/h3,5,8-9,16H,2,4,6-7H2,1H3,(H,17,18,20)/t8-,9-/m0/s1
InChIKeyMGHFRWOGOKZIIN-IUCAKERBSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide (CID 120639661) is (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is MGHFRWOGOKZIIN-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-8-6-9(2-4-16-8)11(20)17-10-3-5-19(18-10)7-12(13,14)15/h3,5,8-9,16H,2,4,6-7H2,1H3,(H,17,18,20)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.77, 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-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120639661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).