2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide

C11H13F3N4O2 — CID 145315676

IUPAC2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide
SMILESO=C(N1CCCCC1)n1ccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)9(19)15-8-4-7-18(16-8)10(20)17-5-2-1-3-6-17/h4,7H,1-3,5-6H2,(H,15,16,19)
InChIKeyCGZUUHKOIAROBN-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.84
Rot. Bonds1

About 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide

2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide (PubChem CID 145315676) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide
PubChem CID145315676
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide
SMILESO=C(N1CCCCC1)n1ccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)9(19)15-8-4-7-18(16-8)10(20)17-5-2-1-3-6-17/h4,7H,1-3,5-6H2,(H,15,16,19)
InChIKeyCGZUUHKOIAROBN-UHFFFAOYSA-N
XLogP1.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide (CID 145315676) is 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide is O=C(N1CCCCC1)n1ccc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide?
The InChIKey is CGZUUHKOIAROBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)9(19)15-8-4-7-18(16-8)10(20)17-5-2-1-3-6-17/h4,7H,1-3,5-6H2,(H,15,16,19).
What are the key properties of 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide?
2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide has a molecular weight of 290.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 145315676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).