1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid

C12H14F3N3O3 — CID 43354136

IUPAC1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-6-18(16-9)7-10(19)17-4-1-8(2-5-17)11(20)21/h3,6,8H,1-2,4-5,7H2,(H,20,21)
InChIKeyZIBZUTZPMDKNDR-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.23
Rot. Bonds3

About 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid

1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 43354136) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID43354136
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-6-18(16-9)7-10(19)17-4-1-8(2-5-17)11(20)21/h3,6,8H,1-2,4-5,7H2,(H,20,21)
InChIKeyZIBZUTZPMDKNDR-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
CID 71899330
4-[3-(Trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 19620054
3-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoic acid
CID 43670354
1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinylcarboxylic acid
CID 67460128
1-Methyl-2-oxopyrrolidine-3-carboxylic acid;1-methyl-5-(trifluoromethyl)pyrazole
CID 154673448
(3-Hydroxy-3-methylcyclobutyl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone
CID 170373571
3-Methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 174764083
1-(4-Methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 39892013
3-Methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 43170372
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-2-carboxylic acid
CID 43171050
4-[[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 43354981
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 43355512

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid (CID 43354136) is 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ZIBZUTZPMDKNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-6-18(16-9)7-10(19)17-4-1-8(2-5-17)11(20)21/h3,6,8H,1-2,4-5,7H2,(H,20,21).
What are the key properties of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.23, 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-4-carboxylic acid is sourced from PubChem (CID 43354136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).