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

C11H15N3O3 — CID 139535577

IUPAC4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(n2cc(C=O)cn2)CCN(C(=O)O)CC1
InChIInChI=1S/C11H15N3O3/c1-11(14-7-9(8-15)6-12-14)2-4-13(5-3-11)10(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyXEROQEVUCBMHPX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.18
Rot. Bonds2

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

4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid (PubChem CID 139535577) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid
PubChem CID139535577
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(n2cc(C=O)cn2)CCN(C(=O)O)CC1
InChIInChI=1S/C11H15N3O3/c1-11(14-7-9(8-15)6-12-14)2-4-13(5-3-11)10(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyXEROQEVUCBMHPX-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.18
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)-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid (CID 139535577) is 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid is CC1(n2cc(C=O)cn2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid?
The InChIKey is XEROQEVUCBMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(14-7-9(8-15)6-12-14)2-4-13(5-3-11)10(16)17/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid?
4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.18, 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)-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 139535577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).