N-hexyl-6-pyrazol-1-ylpyridin-3-amine

C14H20N4 — CID 43704280

IUPACN-hexyl-6-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCCNc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H20N4/c1-2-3-4-5-9-15-13-7-8-14(16-12-13)18-11-6-10-17-18/h6-8,10-12,15H,2-5,9H2,1H3
InChIKeyQOMPBAICRFUUKA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.26
Rot. Bonds7

About N-hexyl-6-pyrazol-1-ylpyridin-3-amine

N-hexyl-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 43704280) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-hexyl-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-hexyl-6-pyrazol-1-ylpyridin-3-amine
PubChem CID43704280
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-hexyl-6-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCCNc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H20N4/c1-2-3-4-5-9-15-13-7-8-14(16-12-13)18-11-6-10-17-18/h6-8,10-12,15H,2-5,9H2,1H3
InChIKeyQOMPBAICRFUUKA-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704279
N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine
CID 43704213
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
N-pentyl-2-pyrazol-1-ylpyridin-3-amine
CID 43736889
N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
CID 43704473
N-[(2-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704514
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704388
4-fluoro-N-heptylaniline
CID 43129312
N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 62755770
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704477
3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 61318074

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-hexyl-6-pyrazol-1-ylpyridin-3-amine (CID 43704280) is N-hexyl-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-hexyl-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-hexyl-6-pyrazol-1-ylpyridin-3-amine is CCCCCCNc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-hexyl-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is QOMPBAICRFUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-3-4-5-9-15-13-7-8-14(16-12-13)18-11-6-10-17-18/h6-8,10-12,15H,2-5,9H2,1H3.
What are the key properties of N-hexyl-6-pyrazol-1-ylpyridin-3-amine?
N-hexyl-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 244.34 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43704280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).