2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine

C13H21N5O — CID 103015783

IUPAC2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CCc2ccnn2C)n1
InChIInChI=1S/C13H21N5O/c1-17-13(3-6-15-17)5-9-18-8-4-12(16-18)11-14-7-10-19-2/h3-4,6,8,14H,5,7,9-11H2,1-2H3
InChIKeyMZDGESJFVMCSEA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds8

About 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine (PubChem CID 103015783) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine
PubChem CID103015783
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CCc2ccnn2C)n1
InChIInChI=1S/C13H21N5O/c1-17-13(3-6-15-17)5-9-18-8-4-12(16-18)11-14-7-10-19-2/h3-4,6,8,14H,5,7,9-11H2,1-2H3
InChIKeyMZDGESJFVMCSEA-UHFFFAOYSA-N
XLogP0.60
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
N-[[1-(3-ethylsulfonylpropyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 65097306
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)pyrazol-3-yl]methyl]ethanamine
CID 106732070
2-methoxy-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-3-yl]methyl]ethanamine
CID 116627160
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-[[1-[(2,6-difluorophenyl)methyl]pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 114934371
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785
N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014550
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103004860
N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107310255

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine (CID 103015783) is 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine is COCCNCc1ccn(CCc2ccnn2C)n1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine?
The InChIKey is MZDGESJFVMCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-13(3-6-15-17)5-9-18-8-4-12(16-18)11-14-7-10-19-2/h3-4,6,8,14H,5,7,9-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 103015783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).