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

C16H23N3 — CID 25205200

IUPAC5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C16H23N3/c1-3-4-5-6-7-9-14-12-17-18-16(14)15-10-8-11-19(2)13-15/h10,12H,3-6,8,11,13H2,1-2H3,(H,17,18)
InChIKeyOQUXWZHJBVCTSR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.06
Rot. Bonds4

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

5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 25205200) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID25205200
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C16H23N3/c1-3-4-5-6-7-9-14-12-17-18-16(14)15-10-8-11-19(2)13-15/h10,12H,3-6,8,11,13H2,1-2H3,(H,17,18)
InChIKeyOQUXWZHJBVCTSR-UHFFFAOYSA-N
XLogP3.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.06
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-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 25205200) is 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCCCCC#Cc1cn[nH]c1C1=CCCN(C)C1.
What is the InChIKey of 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OQUXWZHJBVCTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-5-6-7-9-14-12-17-18-16(14)15-10-8-11-19(2)13-15/h10,12H,3-6,8,11,13H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 257.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hept-1-ynyl-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25205200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).