4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine

C19H25N3O — CID 56718476

IUPAC4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine
SMILESCCn1cc(C2=CCN(CCCOc3ccccc3)CC2)cn1
InChIInChI=1S/C19H25N3O/c1-2-22-16-18(15-20-22)17-9-12-21(13-10-17)11-6-14-23-19-7-4-3-5-8-19/h3-5,7-9,15-16H,2,6,10-14H2,1H3
InChIKeyBSWRWPLMZNJICJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.46
Rot. Bonds7

About 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine

4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine (PubChem CID 56718476) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine
PubChem CID56718476
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine
SMILESCCn1cc(C2=CCN(CCCOc3ccccc3)CC2)cn1
InChIInChI=1S/C19H25N3O/c1-2-22-16-18(15-20-22)17-9-12-21(13-10-17)11-6-14-23-19-7-4-3-5-8-19/h3-5,7-9,15-16H,2,6,10-14H2,1H3
InChIKeyBSWRWPLMZNJICJ-UHFFFAOYSA-N
XLogP3.46
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine (CID 56718476) is 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine is CCn1cc(C2=CCN(CCCOc3ccccc3)CC2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BSWRWPLMZNJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-22-16-18(15-20-22)17-9-12-21(13-10-17)11-6-14-23-19-7-4-3-5-8-19/h3-5,7-9,15-16H,2,6,10-14H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine?
4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 311.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 56718476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).