3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine

C21H24N4O — CID 175975741

IUPAC3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
SMILESCc1ccccc1COc1cncc(-c2cnn(C3CCNCC3)c2)c1
InChIInChI=1S/C21H24N4O/c1-16-4-2-3-5-17(16)15-26-21-10-18(11-23-13-21)19-12-24-25(14-19)20-6-8-22-9-7-20/h2-5,10-14,20,22H,6-9,15H2,1H3
InChIKeyBVGCSDIHOYAGKC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.76
Rot. Bonds5

About 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine

3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine (PubChem CID 175975741) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
PubChem CID175975741
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
SMILESCc1ccccc1COc1cncc(-c2cnn(C3CCNCC3)c2)c1
InChIInChI=1S/C21H24N4O/c1-16-4-2-3-5-17(16)15-26-21-10-18(11-23-13-21)19-12-24-25(14-19)20-6-8-22-9-7-20/h2-5,10-14,20,22H,6-9,15H2,1H3
InChIKeyBVGCSDIHOYAGKC-UHFFFAOYSA-N
XLogP3.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The IUPAC name of 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine (CID 175975741) is 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine is Cc1ccccc1COc1cncc(-c2cnn(C3CCNCC3)c2)c1.
What is the InChIKey of 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The InChIKey is BVGCSDIHOYAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-4-2-3-5-17(16)15-26-21-10-18(11-23-13-21)19-12-24-25(14-19)20-6-8-22-9-7-20/h2-5,10-14,20,22H,6-9,15H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine has a molecular weight of 348.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 175975741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).