1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid

C12H19N3O2 — CID 106758916

IUPAC1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid
SMILESCC(c1ccnn1C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O2/c1-9(11-3-6-13-14(11)2)15-7-4-10(5-8-15)12(16)17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyURZCJHPDXHQZON-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds3

About 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid

1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 106758916) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID106758916
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid
SMILESCC(c1ccnn1C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O2/c1-9(11-3-6-13-14(11)2)15-7-4-10(5-8-15)12(16)17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyURZCJHPDXHQZON-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid (CID 106758916) is 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid is CC(c1ccnn1C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is URZCJHPDXHQZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(11-3-6-13-14(11)2)15-7-4-10(5-8-15)12(16)17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid?
1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106758916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).