2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide

C12H15F3N4O2 — CID 19338677

IUPAC2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
SMILESCn1ncc(NC(=O)C(F)(F)F)c1C(=O)N1CCCCC1
InChIInChI=1S/C12H15F3N4O2/c1-18-9(10(20)19-5-3-2-4-6-19)8(7-16-18)17-11(21)12(13,14)15/h7H,2-6H2,1H3,(H,17,21)
InChIKeyYUXAUZZJWOASJS-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.55
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide

2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide (PubChem CID 19338677) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
PubChem CID19338677
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
SMILESCn1ncc(NC(=O)C(F)(F)F)c1C(=O)N1CCCCC1
InChIInChI=1S/C12H15F3N4O2/c1-18-9(10(20)19-5-3-2-4-6-19)8(7-16-18)17-11(21)12(13,14)15/h7H,2-6H2,1H3,(H,17,21)
InChIKeyYUXAUZZJWOASJS-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.55
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-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide (CID 19338677) is 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide is Cn1ncc(NC(=O)C(F)(F)F)c1C(=O)N1CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The InChIKey is YUXAUZZJWOASJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-18-9(10(20)19-5-3-2-4-6-19)8(7-16-18)17-11(21)12(13,14)15/h7H,2-6H2,1H3,(H,17,21).
What are the key properties of 2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
2,2,2-trifluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide has a molecular weight of 304.27 g/mol, XLogP of 1.55, 2 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-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19338677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).