11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide

C20H30N4O2 — CID 46889281

IUPAC11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide
SMILESCn1cc(NC(=O)CCCCCCCCCCO)c(-c2ccccn2)n1
InChIInChI=1S/C20H30N4O2/c1-24-16-18(20(23-24)17-12-9-10-14-21-17)22-19(26)13-8-6-4-2-3-5-7-11-15-25/h9-10,12,14,16,25H,2-8,11,13,15H2,1H3,(H,22,26)
InChIKeyABUPIKNQYWVPDU-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.92
Rot. Bonds12

About 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide

11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide (PubChem CID 46889281) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide.

Molecular Properties

Compound Name11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide
PubChem CID46889281
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide
SMILESCn1cc(NC(=O)CCCCCCCCCCO)c(-c2ccccn2)n1
InChIInChI=1S/C20H30N4O2/c1-24-16-18(20(23-24)17-12-9-10-14-21-17)22-19(26)13-8-6-4-2-3-5-7-11-15-25/h9-10,12,14,16,25H,2-8,11,13,15H2,1H3,(H,22,26)
InChIKeyABUPIKNQYWVPDU-UHFFFAOYSA-N
XLogP3.92
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide?
The IUPAC name of 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide (CID 46889281) is 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide.
What is the SMILES notation for 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide?
The canonical SMILES for 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide is Cn1cc(NC(=O)CCCCCCCCCCO)c(-c2ccccn2)n1.
What is the InChIKey of 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide?
The InChIKey is ABUPIKNQYWVPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-24-16-18(20(23-24)17-12-9-10-14-21-17)22-19(26)13-8-6-4-2-3-5-7-11-15-25/h9-10,12,14,16,25H,2-8,11,13,15H2,1H3,(H,22,26).
What are the key properties of 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide?
11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide has a molecular weight of 358.49 g/mol, XLogP of 3.92, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)undecanamide is sourced from PubChem (CID 46889281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).