1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid

C13H19N3O3 — CID 43356027

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)7-12(17)16-6-4-3-5-11(16)13(18)19/h11H,3-7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyJLGOYKZNNHQSEZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 43356027) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID43356027
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)7-12(17)16-6-4-3-5-11(16)13(18)19/h11H,3-7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyJLGOYKZNNHQSEZ-UHFFFAOYSA-N
XLogP1.03
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid (CID 43356027) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid is Cc1n[nH]c(C)c1CC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is JLGOYKZNNHQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)7-12(17)16-6-4-3-5-11(16)13(18)19/h11H,3-7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43356027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).