4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid

C9H13N3O3 — CID 117232220

IUPAC4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1C1CCCCN1
InChIInChI=1S/C9H13N3O3/c13-6-5-11-12(8(6)9(14)15)7-3-1-2-4-10-7/h5,7,10,13H,1-4H2,(H,14,15)
InChIKeyJWXCNWUEHKWAEM-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.56
Rot. Bonds2

About 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid

4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid (PubChem CID 117232220) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid
PubChem CID117232220
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1C1CCCCN1
InChIInChI=1S/C9H13N3O3/c13-6-5-11-12(8(6)9(14)15)7-3-1-2-4-10-7/h5,7,10,13H,1-4H2,(H,14,15)
InChIKeyJWXCNWUEHKWAEM-UHFFFAOYSA-N
XLogP0.56
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid (CID 117232220) is 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid is O=C(O)c1c(O)cnn1C1CCCCN1.
What is the InChIKey of 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid?
The InChIKey is JWXCNWUEHKWAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-6-5-11-12(8(6)9(14)15)7-3-1-2-4-10-7/h5,7,10,13H,1-4H2,(H,14,15).
What are the key properties of 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid?
4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 117232220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).