2,6-bis(1-tetradecylpyrazol-3-yl)pyridine

C39H65N5 — CID 91452192

IUPAC2,6-bis(1-tetradecylpyrazol-3-yl)pyridine
SMILESCCCCCCCCCCCCCCn1ccc(-c2cccc(-c3ccn(CCCCCCCCCCCCCC)n3)n2)n1
InChIInChI=1S/C39H65N5/c1-3-5-7-9-11-13-15-17-19-21-23-25-32-43-34-30-38(41-43)36-28-27-29-37(40-36)39-31-35-44(42-39)33-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-31,34-35H,3-26,32-33H2,1-2H3
InChIKeyUZQJDPWSMJRQAW-UHFFFAOYSA-N
MW603.98 g/mol
LogP12.21
Rot. Bonds28

About 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine

2,6-bis(1-tetradecylpyrazol-3-yl)pyridine (PubChem CID 91452192) has the molecular formula C39H65N5 and a molecular weight of 603.98 g/mol. Its IUPAC name is 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(1-tetradecylpyrazol-3-yl)pyridine
PubChem CID91452192
Molecular FormulaC39H65N5
Molecular Weight603.98 g/mol
Exact Mass603.52
IUPAC Name2,6-bis(1-tetradecylpyrazol-3-yl)pyridine
SMILESCCCCCCCCCCCCCCn1ccc(-c2cccc(-c3ccn(CCCCCCCCCCCCCC)n3)n2)n1
InChIInChI=1S/C39H65N5/c1-3-5-7-9-11-13-15-17-19-21-23-25-32-43-34-30-38(41-43)36-28-27-29-37(40-36)39-31-35-44(42-39)33-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-31,34-35H,3-26,32-33H2,1-2H3
InChIKeyUZQJDPWSMJRQAW-UHFFFAOYSA-N
XLogP12.21
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.98
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
Methyl-pyridin-4-yl-(2-vinyl-pyrrol-1-yl)-amine
CID 10375506
3-(2-Fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591385
3,5-Di(2-pyridyl)pyrazole
CID 613762
3-(1H-pyrazol-1-yl)pyridine
CID 11378567
4-(1H-Pyrazol-1-yl)pyridine
CID 20041704
2-{2-[4-(1-tert-butyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}pyridine
CID 50978449
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011
2-(6-Ethyl-2-pyridinyl)-4,5,5-trimethyl-3-pyridin-4-yl-4,6-dihydropyrrolo[1,2-b]pyrazole
CID 145979031
4,5,5-Trimethyl-2-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-4,6-dihydropyrrolo[1,2-b]pyrazole
CID 145979203

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine?
The IUPAC name of 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine (CID 91452192) is 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine?
The canonical SMILES for 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine is CCCCCCCCCCCCCCn1ccc(-c2cccc(-c3ccn(CCCCCCCCCCCCCC)n3)n2)n1.
What is the InChIKey of 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine?
The InChIKey is UZQJDPWSMJRQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H65N5/c1-3-5-7-9-11-13-15-17-19-21-23-25-32-43-34-30-38(41-43)36-28-27-29-37(40-36)39-31-35-44(42-39)33-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-31,34-35H,3-26,32-33H2,1-2H3.
What are the key properties of 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine?
2,6-bis(1-tetradecylpyrazol-3-yl)pyridine has a molecular weight of 603.98 g/mol, XLogP of 12.21, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-tetradecylpyrazol-3-yl)pyridine is sourced from PubChem (CID 91452192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).