2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

C10H19N3O2 — CID 115600579

IUPAC2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1c(C)nn(C)c1OC
InChIInChI=1S/C10H19N3O2/c1-8-9(7-11-5-6-14-3)10(15-4)13(2)12-8/h11H,5-7H2,1-4H3
InChIKeyFLKIGIHZPZAUIH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.47
Rot. Bonds6

About 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115600579) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID115600579
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1c(C)nn(C)c1OC
InChIInChI=1S/C10H19N3O2/c1-8-9(7-11-5-6-14-3)10(15-4)13(2)12-8/h11H,5-7H2,1-4H3
InChIKeyFLKIGIHZPZAUIH-UHFFFAOYSA-N
XLogP0.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115600667
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604266
2-methoxy-N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63856362
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702817
N-[[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63072327
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
CID 63058730
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (CID 115600579) is 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is COCCNCc1c(C)nn(C)c1OC.
What is the InChIKey of 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is FLKIGIHZPZAUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8-9(7-11-5-6-14-3)10(15-4)13(2)12-8/h11H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115600579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).