N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

C14H20N4 — CID 80636183

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)cc2C)c(C)c1
InChIInChI=1S/C14H20N4/c1-5-15-8-13-6-10(2)14(16-9-13)18-12(4)7-11(3)17-18/h6-7,9,15H,5,8H2,1-4H3
InChIKeyJSUGGOOUXYJWKM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds4

About N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80636183) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID80636183
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)cc2C)c(C)c1
InChIInChI=1S/C14H20N4/c1-5-15-8-13-6-10(2)14(16-9-13)18-12(4)7-11(3)17-18/h6-7,9,15H,5,8H2,1-4H3
InChIKeyJSUGGOOUXYJWKM-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (CID 80636183) is N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(-n2nc(C)cc2C)c(C)c1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is JSUGGOOUXYJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-15-8-13-6-10(2)14(16-9-13)18-12(4)7-11(3)17-18/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80636183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).