3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine

C17H17N3O — CID 31134398

IUPAC3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine
SMILESCOCCn1ccc(-c2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C17H17N3O/c1-21-11-10-20-9-7-17(19-20)15-5-2-4-14(12-15)16-6-3-8-18-13-16/h2-9,12-13H,10-11H2,1H3
InChIKeyBERQFIQSPVQCEY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds5

About 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine

3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine (PubChem CID 31134398) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine
PubChem CID31134398
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine
SMILESCOCCn1ccc(-c2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C17H17N3O/c1-21-11-10-20-9-7-17(19-20)15-5-2-4-14(12-15)16-6-3-8-18-13-16/h2-9,12-13H,10-11H2,1H3
InChIKeyBERQFIQSPVQCEY-UHFFFAOYSA-N
XLogP3.26
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine?
The IUPAC name of 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine (CID 31134398) is 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine?
The canonical SMILES for 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine is COCCn1ccc(-c2cccc(-c3cccnc3)c2)n1.
What is the InChIKey of 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine?
The InChIKey is BERQFIQSPVQCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-11-10-20-9-7-17(19-20)15-5-2-4-14(12-15)16-6-3-8-18-13-16/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine?
3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine has a molecular weight of 279.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 31134398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).