3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

C15H16N4O — CID 70569912

IUPAC3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCCOCCc1cnn2c(-c3cccnc3)ccnc12
InChIInChI=1S/C15H16N4O/c1-2-20-9-6-13-11-18-19-14(5-8-17-15(13)19)12-4-3-7-16-10-12/h3-5,7-8,10-11H,2,6,9H2,1H3
InChIKeyZLWRIIVSNKIFTD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.37
Rot. Bonds5

About 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 70569912) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID70569912
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCCOCCc1cnn2c(-c3cccnc3)ccnc12
InChIInChI=1S/C15H16N4O/c1-2-20-9-6-13-11-18-19-14(5-8-17-15(13)19)12-4-3-7-16-10-12/h3-5,7-8,10-11H,2,6,9H2,1H3
InChIKeyZLWRIIVSNKIFTD-UHFFFAOYSA-N
XLogP2.37
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
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 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (CID 70569912) is 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is CCOCCc1cnn2c(-c3cccnc3)ccnc12.
What is the InChIKey of 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZLWRIIVSNKIFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-20-9-6-13-11-18-19-14(5-8-17-15(13)19)12-4-3-7-16-10-12/h3-5,7-8,10-11H,2,6,9H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 268.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70569912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).