2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H17F3N4O — CID 126432226

IUPAC2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-17-11(20)7-19-5-3-10(18-19)9-2-1-4-16-6-9/h3,5,9,16H,1-2,4,6-8H2,(H,17,20)/t9-/m0/s1
InChIKeyFTKRVOBSQULSOG-VIFPVBQESA-N
MW290.29 g/mol
LogP1.03
Rot. Bonds4

About 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 126432226) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID126432226
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-17-11(20)7-19-5-3-10(18-19)9-2-1-4-16-6-9/h3,5,9,16H,1-2,4,6-8H2,(H,17,20)/t9-/m0/s1
InChIKeyFTKRVOBSQULSOG-VIFPVBQESA-N
XLogP1.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 126432226) is 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ccc([C@H]2CCCNC2)n1)NCC(F)(F)F.
What is the InChIKey of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FTKRVOBSQULSOG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-17-11(20)7-19-5-3-10(18-19)9-2-1-4-16-6-9/h3,5,9,16H,1-2,4,6-8H2,(H,17,20)/t9-/m0/s1.
What are the key properties of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 126432226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).