2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide

C20H24F3N5O2 — CID 92632065

IUPAC2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H24F3N5O2/c1-14-5-2-3-8-27(14)12-18(29)26-17-10-24-28(11-17)13-19(30)25-16-7-4-6-15(9-16)20(21,22)23/h4,6-7,9-11,14H,2-3,5,8,12-13H2,1H3,(H,25,30)(H,26,29)/t14-/m0/s1
InChIKeyONLAIPRKEWJEBS-AWEZNQCLSA-N
MW423.44 g/mol
LogP3.35
Rot. Bonds6

About 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide

2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide (PubChem CID 92632065) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide
PubChem CID92632065
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H24F3N5O2/c1-14-5-2-3-8-27(14)12-18(29)26-17-10-24-28(11-17)13-19(30)25-16-7-4-6-15(9-16)20(21,22)23/h4,6-7,9-11,14H,2-3,5,8,12-13H2,1H3,(H,25,30)(H,26,29)/t14-/m0/s1
InChIKeyONLAIPRKEWJEBS-AWEZNQCLSA-N
XLogP3.35
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide (CID 92632065) is 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide is C[C@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide?
The InChIKey is ONLAIPRKEWJEBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-14-5-2-3-8-27(14)12-18(29)26-17-10-24-28(11-17)13-19(30)25-16-7-4-6-15(9-16)20(21,22)23/h4,6-7,9-11,14H,2-3,5,8,12-13H2,1H3,(H,25,30)(H,26,29)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide?
2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 92632065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).