1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine

C17H27N3 — CID 25205374

IUPAC1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine
SMILESCCCCCC/C=C/c1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C17H27N3/c1-3-4-5-6-7-8-10-15-13-18-19-17(15)16-11-9-12-20(2)14-16/h8,10-11,13H,3-7,9,12,14H2,1-2H3,(H,18,19)/b10-8+
InChIKeyKNCMWWDUJYMNNI-CSKARUKUSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds7

About 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine

1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine (PubChem CID 25205374) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine
PubChem CID25205374
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine
SMILESCCCCCC/C=C/c1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C17H27N3/c1-3-4-5-6-7-8-10-15-13-18-19-17(15)16-11-9-12-20(2)14-16/h8,10-11,13H,3-7,9,12,14H2,1-2H3,(H,18,19)/b10-8+
InChIKeyKNCMWWDUJYMNNI-CSKARUKUSA-N
XLogP4.11
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-3-phenyl-1H-pyrazole
CID 283921
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 70773641
N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 75384285
6,7-Dihydroindazole
CID 15072748
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine
CID 4542066
1-[4-[(dimethylamino)methyl]phenyl]-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 17562514
1-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl}-4-methylpiperazine
CID 1487742
N-benzyl-N-methyl-1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methanamine
CID 1096826
1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812588
4-Ethyl-3-phenylpyrazole
CID 4359245

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine (CID 25205374) is 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine is CCCCCC/C=C/c1cn[nH]c1C1=CCCN(C)C1.
What is the InChIKey of 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is KNCMWWDUJYMNNI-CSKARUKUSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-4-5-6-7-8-10-15-13-18-19-17(15)16-11-9-12-20(2)14-16/h8,10-11,13H,3-7,9,12,14H2,1-2H3,(H,18,19)/b10-8+.
What are the key properties of 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine?
1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[(E)-oct-1-enyl]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25205374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).