1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid

C12H14F3N3O3 — CID 43171050

IUPAC1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-4-6-17(16-9)7-10(19)18-5-2-1-3-8(18)11(20)21/h4,6,8H,1-3,5,7H2,(H,20,21)
InChIKeyNBHRSLRACWTAGJ-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.37
Rot. Bonds3

About 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid

1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid (PubChem CID 43171050) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid
PubChem CID43171050
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-4-6-17(16-9)7-10(19)18-5-2-1-3-8(18)11(20)21/h4,6,8H,1-3,5,7H2,(H,20,21)
InChIKeyNBHRSLRACWTAGJ-UHFFFAOYSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid (CID 43171050) is 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid?
The InChIKey is NBHRSLRACWTAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)9-4-6-17(16-9)7-10(19)18-5-2-1-3-8(18)11(20)21/h4,6,8H,1-3,5,7H2,(H,20,21).
What are the key properties of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid?
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43171050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).