6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid

C10H15N3O2 — CID 146598228

IUPAC6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-8(10(14)15)6-13(7)9-4-11-12-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyHLYNJAJZIHJZQF-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.10
Rot. Bonds2

About 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid

6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid (PubChem CID 146598228) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
PubChem CID146598228
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-8(10(14)15)6-13(7)9-4-11-12-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyHLYNJAJZIHJZQF-UHFFFAOYSA-N
XLogP1.10
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid (CID 146598228) is 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1c1cn[nH]c1.
What is the InChIKey of 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The InChIKey is HLYNJAJZIHJZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-2-3-8(10(14)15)6-13(7)9-4-11-12-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 146598228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).