1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine

C18H27N3 — CID 25205204

IUPAC1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-7-8-9-11-16-14-19-20-18(16)17-12-10-13-21(2)15-17/h12,14H,3-8,10,13,15H2,1-2H3,(H,19,20)
InChIKeyHLQKZDGPYRYGOK-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.84
Rot. Bonds6

About 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 25205204) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID25205204
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-7-8-9-11-16-14-19-20-18(16)17-12-10-13-21(2)15-17/h12,14H,3-8,10,13,15H2,1-2H3,(H,19,20)
InChIKeyHLQKZDGPYRYGOK-UHFFFAOYSA-N
XLogP3.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 25205204) is 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine is CCCCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1.
What is the InChIKey of 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is HLQKZDGPYRYGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-4-5-6-7-8-9-11-16-14-19-20-18(16)17-12-10-13-21(2)15-17/h12,14H,3-8,10,13,15H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 285.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-non-1-ynyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25205204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).