N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

C16H24N4 — CID 82694623

IUPACN-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-n2nc(CC)cc2CC)c1
InChIInChI=1S/C16H24N4/c1-4-8-17-12-13-7-9-18-16(10-13)20-15(6-3)11-14(5-2)19-20/h7,9-11,17H,4-6,8,12H2,1-3H3
InChIKeyIXXPTLFWBMWYJY-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.89
Rot. Bonds7

About N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 82694623) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID82694623
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-n2nc(CC)cc2CC)c1
InChIInChI=1S/C16H24N4/c1-4-8-17-12-13-7-9-18-16(10-13)20-15(6-3)11-14(5-2)19-20/h7,9-11,17H,4-6,8,12H2,1-3H3
InChIKeyIXXPTLFWBMWYJY-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.89
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-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107381268
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294478
N-[[2-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539900
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114412468
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62295215
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62284463
6-(3,5-diethylpyrazol-1-yl)-N-propylpyridin-2-amine
CID 82699859
N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62288983

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 82694623) is N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(-n2nc(CC)cc2CC)c1.
What is the InChIKey of N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is IXXPTLFWBMWYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-8-17-12-13-7-9-18-16(10-13)20-15(6-3)11-14(5-2)19-20/h7,9-11,17H,4-6,8,12H2,1-3H3.
What are the key properties of N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 82694623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).