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

C12H14F3N3O4 — CID 119251468

IUPAC4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C12H14F3N3O4/c13-12(14,15)8-1-4-18(16-8)7-9(19)17-5-2-11(22,3-6-17)10(20)21/h1,4,22H,2-3,5-7H2,(H,20,21)
InChIKeyWQTONUDLBDYOCH-UHFFFAOYSA-N
MW321.26 g/mol
LogP0.34
Rot. Bonds3

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

4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 119251468) has the molecular formula C12H14F3N3O4 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID119251468
Molecular FormulaC12H14F3N3O4
Molecular Weight321.26 g/mol
Exact Mass321.09
IUPAC Name4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C12H14F3N3O4/c13-12(14,15)8-1-4-18(16-8)7-9(19)17-5-2-11(22,3-6-17)10(20)21/h1,4,22H,2-3,5-7H2,(H,20,21)
InChIKeyWQTONUDLBDYOCH-UHFFFAOYSA-N
XLogP0.34
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 43393908
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55969661
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 43355789
1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453412
1-(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 138058376
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55330868
2-fluoro-2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidin-3-yl]acetic acid
CID 146143204
1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 155944740
1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 136513258
N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674149
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
1-(oxazinan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 113375826

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid (CID 119251468) is 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid is O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is WQTONUDLBDYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O4/c13-12(14,15)8-1-4-18(16-8)7-9(19)17-5-2-11(22,3-6-17)10(20)21/h1,4,22H,2-3,5-7H2,(H,20,21).
What are the key properties of 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 321.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).