5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C19H23N5O — CID 146042987

IUPAC5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCCOCCn1nc(-c2ccccc2)nc1C1CCn2nccc2C1
InChIInChI=1S/C19H23N5O/c1-2-25-13-12-24-19(16-9-11-23-17(14-16)8-10-20-23)21-18(22-24)15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3
InChIKeyPSEVUWGVXUFXLK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.91
Rot. Bonds6

About 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 146042987) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID146042987
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCCOCCn1nc(-c2ccccc2)nc1C1CCn2nccc2C1
InChIInChI=1S/C19H23N5O/c1-2-25-13-12-24-19(16-9-11-23-17(14-16)8-10-20-23)21-18(22-24)15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3
InChIKeyPSEVUWGVXUFXLK-UHFFFAOYSA-N
XLogP2.91
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 146042987) is 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CCOCCn1nc(-c2ccccc2)nc1C1CCn2nccc2C1.
What is the InChIKey of 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is PSEVUWGVXUFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-25-13-12-24-19(16-9-11-23-17(14-16)8-10-20-23)21-18(22-24)15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3.
What are the key properties of 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 337.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 146042987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).