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

C16H24N4 — CID 43704279

IUPACN-octyl-6-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCCCCNc1ccc(-n2cccn2)nc1
InChIInChI=1S/C16H24N4/c1-2-3-4-5-6-7-11-17-15-9-10-16(18-14-15)20-13-8-12-19-20/h8-10,12-14,17H,2-7,11H2,1H3
InChIKeyICXPYVLRLGMEQK-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.04
Rot. Bonds9

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

N-octyl-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 43704279) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-octyl-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-octyl-6-pyrazol-1-ylpyridin-3-amine
PubChem CID43704279
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-octyl-6-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCCCCNc1ccc(-n2cccn2)nc1
InChIInChI=1S/C16H24N4/c1-2-3-4-5-6-7-11-17-15-9-10-16(18-14-15)20-13-8-12-19-20/h8-10,12-14,17H,2-7,11H2,1H3
InChIKeyICXPYVLRLGMEQK-UHFFFAOYSA-N
XLogP4.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.04
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-hexyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704280
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-octyl-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-octyl-6-pyrazol-1-ylpyridin-3-amine (CID 43704279) is N-octyl-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-octyl-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-octyl-6-pyrazol-1-ylpyridin-3-amine is CCCCCCCCNc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-octyl-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is ICXPYVLRLGMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-3-4-5-6-7-11-17-15-9-10-16(18-14-15)20-13-8-12-19-20/h8-10,12-14,17H,2-7,11H2,1H3.
What are the key properties of N-octyl-6-pyrazol-1-ylpyridin-3-amine?
N-octyl-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 272.40 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43704279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).