N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine

C15H22N4 — CID 82693989

IUPACN-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1-n1nc(CC)cc1CC
InChIInChI=1S/C15H22N4/c1-4-13-10-14(5-2)19(18-13)15-12(11-16-6-3)8-7-9-17-15/h7-10,16H,4-6,11H2,1-3H3
InChIKeyZQMHPDNRJVSYMA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.50
Rot. Bonds6

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

N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 82693989) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID82693989
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1-n1nc(CC)cc1CC
InChIInChI=1S/C15H22N4/c1-4-13-10-14(5-2)19(18-13)15-12(11-16-6-3)8-7-9-17-15/h7-10,16H,4-6,11H2,1-3H3
InChIKeyZQMHPDNRJVSYMA-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine (CID 82693989) is N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1-n1nc(CC)cc1CC.
What is the InChIKey of N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is ZQMHPDNRJVSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-13-10-14(5-2)19(18-13)15-12(11-16-6-3)8-7-9-17-15/h7-10,16H,4-6,11H2,1-3H3.
What are the key properties of N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.50, 6 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)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 82693989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).