3-undecan-5-ylpyrazolo[1,5-a]pyridine

C18H28N2 — CID 170095854

IUPAC3-undecan-5-ylpyrazolo[1,5-a]pyridine
SMILESCCCCCCC(CCCC)c1cnn2ccccc12
InChIInChI=1S/C18H28N2/c1-3-5-7-8-12-16(11-6-4-2)17-15-19-20-14-10-9-13-18(17)20/h9-10,13-16H,3-8,11-12H2,1-2H3
InChIKeyGQYFOIYQCTVWCF-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.58
Rot. Bonds9

About 3-undecan-5-ylpyrazolo[1,5-a]pyridine

3-undecan-5-ylpyrazolo[1,5-a]pyridine (PubChem CID 170095854) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-undecan-5-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-undecan-5-ylpyrazolo[1,5-a]pyridine
PubChem CID170095854
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-undecan-5-ylpyrazolo[1,5-a]pyridine
SMILESCCCCCCC(CCCC)c1cnn2ccccc12
InChIInChI=1S/C18H28N2/c1-3-5-7-8-12-16(11-6-4-2)17-15-19-20-14-10-9-13-18(17)20/h9-10,13-16H,3-8,11-12H2,1-2H3
InChIKeyGQYFOIYQCTVWCF-UHFFFAOYSA-N
XLogP5.58
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylheptan-1-amine
CID 103126570
1-pyrazolo[1,5-a]pyridin-3-ylhexylhydrazine
CID 103129533
1-pyrazolo[1,5-a]pyridin-3-ylbutylhydrazine
CID 103129377
ethane;3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155742340
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)hexan-1-amine
CID 63311788
2-pentadecan-6-ylphenol
CID 66865451
2-(4-propan-2-ylphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126751
2-ethoxy-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127669
2-icosan-9-ylaniline
CID 22408958
N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine
CID 103126360
N-[(2-fluorophenyl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103126487
formaldehyde;2-tridecan-5-ylphenol
CID 130205554

Frequently Asked Questions

What is the IUPAC name of 3-undecan-5-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-undecan-5-ylpyrazolo[1,5-a]pyridine (CID 170095854) is 3-undecan-5-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-undecan-5-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-undecan-5-ylpyrazolo[1,5-a]pyridine is CCCCCCC(CCCC)c1cnn2ccccc12.
What is the InChIKey of 3-undecan-5-ylpyrazolo[1,5-a]pyridine?
The InChIKey is GQYFOIYQCTVWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-5-7-8-12-16(11-6-4-2)17-15-19-20-14-10-9-13-18(17)20/h9-10,13-16H,3-8,11-12H2,1-2H3.
What are the key properties of 3-undecan-5-ylpyrazolo[1,5-a]pyridine?
3-undecan-5-ylpyrazolo[1,5-a]pyridine has a molecular weight of 272.44 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecan-5-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 170095854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).