1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid

C11H17N3O3 — CID 121211302

IUPAC1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCNCC2)nn1CCO
InChIInChI=1S/C11H17N3O3/c15-6-5-14-10(11(16)17)7-9(13-14)8-1-3-12-4-2-8/h7-8,12,15H,1-6H2,(H,16,17)
InChIKeyMDIGQLTWJIKBMX-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.04
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid

1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid (PubChem CID 121211302) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid
PubChem CID121211302
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCNCC2)nn1CCO
InChIInChI=1S/C11H17N3O3/c15-6-5-14-10(11(16)17)7-9(13-14)8-1-3-12-4-2-8/h7-8,12,15H,1-6H2,(H,16,17)
InChIKeyMDIGQLTWJIKBMX-UHFFFAOYSA-N
XLogP0.04
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid (CID 121211302) is 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid is O=C(O)c1cc(C2CCNCC2)nn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid?
The InChIKey is MDIGQLTWJIKBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-6-5-14-10(11(16)17)7-9(13-14)8-1-3-12-4-2-8/h7-8,12,15H,1-6H2,(H,16,17).
What are the key properties of 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid?
1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 121211302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).