1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid

C13H16F3N3O3 — CID 67460128

IUPAC1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H16F3N3O3/c1-8-6-10(13(14,15)16)17-19(8)7-11(20)18-4-2-9(3-5-18)12(21)22/h6,9H,2-5,7H2,1H3,(H,21,22)
InChIKeyRZXWRKVYCZLACG-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid

1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 67460128) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID67460128
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H16F3N3O3/c1-8-6-10(13(14,15)16)17-19(8)7-11(20)18-4-2-9(3-5-18)12(21)22/h6,9H,2-5,7H2,1H3,(H,21,22)
InChIKeyRZXWRKVYCZLACG-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid (CID 67460128) is 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is RZXWRKVYCZLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-8-6-10(13(14,15)16)17-19(8)7-11(20)18-4-2-9(3-5-18)12(21)22/h6,9H,2-5,7H2,1H3,(H,21,22).
What are the key properties of 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid?
1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 319.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67460128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).