5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde

C10H15N3O — CID 115092267

IUPAC5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde
SMILESCN1CCC(c2cc(C=O)n[nH]2)CC1
InChIInChI=1S/C10H15N3O/c1-13-4-2-8(3-5-13)10-6-9(7-14)11-12-10/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyUKUDFVFWWGPJBO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.03
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde

5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde (PubChem CID 115092267) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde
PubChem CID115092267
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde
SMILESCN1CCC(c2cc(C=O)n[nH]2)CC1
InChIInChI=1S/C10H15N3O/c1-13-4-2-8(3-5-13)10-6-9(7-14)11-12-10/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyUKUDFVFWWGPJBO-UHFFFAOYSA-N
XLogP1.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde (CID 115092267) is 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde is CN1CCC(c2cc(C=O)n[nH]2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde?
The InChIKey is UKUDFVFWWGPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-4-2-8(3-5-13)10-6-9(7-14)11-12-10/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde?
5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde is sourced from PubChem (CID 115092267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).