4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid

C10H13N3O3 — CID 140660520

IUPAC4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=Cc1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C10H13N3O3/c14-7-8-5-11-13(6-8)9-1-3-12(4-2-9)10(15)16/h5-7,9H,1-4H2,(H,15,16)
InChIKeyXEJQFZZREQYUEO-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.01
Rot. Bonds2

About 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid

4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 140660520) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID140660520
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=Cc1cnn(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C10H13N3O3/c14-7-8-5-11-13(6-8)9-1-3-12(4-2-9)10(15)16/h5-7,9H,1-4H2,(H,15,16)
InChIKeyXEJQFZZREQYUEO-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid (CID 140660520) is 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid is O=Cc1cnn(C2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is XEJQFZZREQYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-7-8-5-11-13(6-8)9-1-3-12(4-2-9)10(15)16/h5-7,9H,1-4H2,(H,15,16).
What are the key properties of 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid?
4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 140660520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).