3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid

C11H17N3O3 — CID 146256742

IUPAC3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCOC1CCN(c2nn(C)cc2C(=O)O)CC1
InChIInChI=1S/C11H17N3O3/c1-13-7-9(11(15)16)10(12-13)14-5-3-8(17-2)4-6-14/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyUVNFNNQUVRLGII-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.73
Rot. Bonds3

About 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid

3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 146256742) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID146256742
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCOC1CCN(c2nn(C)cc2C(=O)O)CC1
InChIInChI=1S/C11H17N3O3/c1-13-7-9(11(15)16)10(12-13)14-5-3-8(17-2)4-6-14/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyUVNFNNQUVRLGII-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid (CID 146256742) is 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid is COC1CCN(c2nn(C)cc2C(=O)O)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is UVNFNNQUVRLGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-7-9(11(15)16)10(12-13)14-5-3-8(17-2)4-6-14/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid?
3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 146256742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).