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

C15H21N3 — CID 25205205

IUPAC5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C15H21N3/c1-3-4-5-6-8-13-11-16-17-15(13)14-9-7-10-18(2)12-14/h9,11H,3-5,7,10,12H2,1-2H3,(H,16,17)
InChIKeyQRMOIUXUXBHRLA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds3

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

5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 25205205) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID25205205
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C15H21N3/c1-3-4-5-6-8-13-11-16-17-15(13)14-9-7-10-18(2)12-14/h9,11H,3-5,7,10,12H2,1-2H3,(H,16,17)
InChIKeyQRMOIUXUXBHRLA-UHFFFAOYSA-N
XLogP2.67
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
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 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 25205205) is 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCCCC#Cc1cn[nH]c1C1=CCCN(C)C1.
What is the InChIKey of 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is QRMOIUXUXBHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-5-6-8-13-11-16-17-15(13)14-9-7-10-18(2)12-14/h9,11H,3-5,7,10,12H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 243.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hex-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25205205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).