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

C20H29N3 — CID 25205207

IUPAC5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2[nH]ncc2C#CCCCC2CCCCC2)C1
InChIInChI=1S/C20H29N3/c1-23-14-8-13-19(16-23)20-18(15-21-22-20)12-7-3-6-11-17-9-4-2-5-10-17/h13,15,17H,2-6,8-11,14,16H2,1H3,(H,21,22)
InChIKeyLWGDLYUIBCBEBS-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.23
Rot. Bonds4

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

5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 25205207) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID25205207
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2[nH]ncc2C#CCCCC2CCCCC2)C1
InChIInChI=1S/C20H29N3/c1-23-14-8-13-19(16-23)20-18(15-21-22-20)12-7-3-6-11-17-9-4-2-5-10-17/h13,15,17H,2-6,8-11,14,16H2,1H3,(H,21,22)
InChIKeyLWGDLYUIBCBEBS-UHFFFAOYSA-N
XLogP4.23
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.23
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'}

Analyze 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70773641
CID 70773641
CID 1096826
CID 1096826
CID 2812588
CID 2812588
CID 129132927
CID 129132927
CID 5107702
CID 5107702
CID 45238845
CID 45238845
CID 46989628
CID 46989628
CID 4537188
CID 4537188
CID 25205206
CID 25205206
CID 68435428
CID 68435428
CID 68719295
CID 68719295
CID 75204033
CID 75204033

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine (CID 25205207) is 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(c2[nH]ncc2C#CCCCC2CCCCC2)C1.
What is the InChIKey of 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is LWGDLYUIBCBEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-23-14-8-13-19(16-23)20-18(15-21-22-20)12-7-3-6-11-17-9-4-2-5-10-17/h13,15,17H,2-6,8-11,14,16H2,1H3,(H,21,22).
What are the key properties of 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 311.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-cyclohexylpent-1-ynyl)-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25205207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).