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

C12H17N3O3 — CID 110836983

IUPAC1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1[nH]ncc1CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3/c1-8-10(6-13-14-8)5-11(16)15-4-2-3-9(7-15)12(17)18/h6,9H,2-5,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyKZRBGICCJJICEY-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.58
Rot. Bonds3

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

1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 110836983) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID110836983
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1[nH]ncc1CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3/c1-8-10(6-13-14-8)5-11(16)15-4-2-3-9(7-15)12(17)18/h6,9H,2-5,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyKZRBGICCJJICEY-UHFFFAOYSA-N
XLogP0.58
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid (CID 110836983) is 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid is Cc1[nH]ncc1CC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is KZRBGICCJJICEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-10(6-13-14-8)5-11(16)15-4-2-3-9(7-15)12(17)18/h6,9H,2-5,7H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 110836983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).