1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid

C10H15N3O2 — CID 84676920

IUPAC1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid
SMILESCn1cc(C2CCNCC2)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-13-6-8(9(12-13)10(14)15)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3,(H,14,15)
InChIKeyTYKJFQICPGOWSV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.59
Rot. Bonds2

About 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid

1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid (PubChem CID 84676920) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid
PubChem CID84676920
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid
SMILESCn1cc(C2CCNCC2)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-13-6-8(9(12-13)10(14)15)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3,(H,14,15)
InChIKeyTYKJFQICPGOWSV-UHFFFAOYSA-N
XLogP0.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid (CID 84676920) is 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid is Cn1cc(C2CCNCC2)c(C(=O)O)n1.
What is the InChIKey of 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid?
The InChIKey is TYKJFQICPGOWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-6-8(9(12-13)10(14)15)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid?
1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 84676920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).