1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine

C17H21N3 — CID 15942778

IUPAC1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1cc(CCN2CC=C(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H21N3/c1-14-13-17(19-18-14)9-12-20-10-7-16(8-11-20)15-5-3-2-4-6-15/h2-7,13H,8-12H2,1H3,(H,18,19)
InChIKeyBZOYBGWTKQYBMB-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine

1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 15942778) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID15942778
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1cc(CCN2CC=C(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H21N3/c1-14-13-17(19-18-14)9-12-20-10-7-16(8-11-20)15-5-3-2-4-6-15/h2-7,13H,8-12H2,1H3,(H,18,19)
InChIKeyBZOYBGWTKQYBMB-UHFFFAOYSA-N
XLogP3.05
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine (CID 15942778) is 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine is Cc1cc(CCN2CC=C(c3ccccc3)CC2)n[nH]1.
What is the InChIKey of 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is BZOYBGWTKQYBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-14-13-17(19-18-14)9-12-20-10-7-16(8-11-20)15-5-3-2-4-6-15/h2-7,13H,8-12H2,1H3,(H,18,19).
What are the key properties of 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 267.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15942778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).