1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid

C9H13N3O2 — CID 82647068

IUPAC1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cn[nH]c2)CC1
InChIInChI=1S/C9H13N3O2/c13-9(14)7-1-3-12(4-2-7)8-5-10-11-6-8/h5-7H,1-4H2,(H,10,11)(H,13,14)
InChIKeyGPFICIZWAWYDCZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.71
Rot. Bonds2

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

1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid (PubChem CID 82647068) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
PubChem CID82647068
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cn[nH]c2)CC1
InChIInChI=1S/C9H13N3O2/c13-9(14)7-1-3-12(4-2-7)8-5-10-11-6-8/h5-7H,1-4H2,(H,10,11)(H,13,14)
InChIKeyGPFICIZWAWYDCZ-UHFFFAOYSA-N
XLogP0.71
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid (CID 82647068) is 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cn[nH]c2)CC1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
The InChIKey is GPFICIZWAWYDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(14)7-1-3-12(4-2-7)8-5-10-11-6-8/h5-7H,1-4H2,(H,10,11)(H,13,14).
What are the key properties of 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid?
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82647068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).