1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine

C19H25N3O2 — CID 50979686

IUPAC1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccccc1OCCCN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C19H25N3O2/c1-21-15-17(14-20-21)16-8-11-22(12-9-16)10-5-13-24-19-7-4-3-6-18(19)23-2/h3-4,6-8,14-15H,5,9-13H2,1-2H3
InChIKeyFYNUWSWRXIBPBO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.99
Rot. Bonds7

About 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine

1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 50979686) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID50979686
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccccc1OCCCN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C19H25N3O2/c1-21-15-17(14-20-21)16-8-11-22(12-9-16)10-5-13-24-19-7-4-3-6-18(19)23-2/h3-4,6-8,14-15H,5,9-13H2,1-2H3
InChIKeyFYNUWSWRXIBPBO-UHFFFAOYSA-N
XLogP2.99
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.99
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 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine (CID 50979686) is 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine is COc1ccccc1OCCCN1CC=C(c2cnn(C)c2)CC1.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is FYNUWSWRXIBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-15-17(14-20-21)16-8-11-22(12-9-16)10-5-13-24-19-7-4-3-6-18(19)23-2/h3-4,6-8,14-15H,5,9-13H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 327.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)propyl]-4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 50979686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).