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

C14H23N3 — CID 25207303

IUPAC1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C14H23N3/c1-3-4-5-7-12-10-15-16-14(12)13-8-6-9-17(2)11-13/h8,10H,3-7,9,11H2,1-2H3,(H,15,16)
InChIKeySHZPPKWSNGEZTR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.86
Rot. Bonds5

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

1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 25207303) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID25207303
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C14H23N3/c1-3-4-5-7-12-10-15-16-14(12)13-8-6-9-17(2)11-13/h8,10H,3-7,9,11H2,1-2H3,(H,15,16)
InChIKeySHZPPKWSNGEZTR-UHFFFAOYSA-N
XLogP2.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 25207303) is 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine is CCCCCc1cn[nH]c1C1=CCCN(C)C1.
What is the InChIKey of 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is SHZPPKWSNGEZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-4-5-7-12-10-15-16-14(12)13-8-6-9-17(2)11-13/h8,10H,3-7,9,11H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 233.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-pentyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25207303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).