2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine

C14H22N4O — CID 103005538

IUPAC2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1CCc1cnn(C)c1
InChIInChI=1S/C14H22N4O/c1-17-12-13(10-16-17)5-8-18-7-3-4-14(18)11-15-6-9-19-2/h3-4,7,10,12,15H,5-6,8-9,11H2,1-2H3
InChIKeyOWTJWRIMPZOELJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.20
Rot. Bonds8

About 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 103005538) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID103005538
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1CCc1cnn(C)c1
InChIInChI=1S/C14H22N4O/c1-17-12-13(10-16-17)5-8-18-7-3-4-14(18)11-15-6-9-19-2/h3-4,7,10,12,15H,5-6,8-9,11H2,1-2H3
InChIKeyOWTJWRIMPZOELJ-UHFFFAOYSA-N
XLogP1.20
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.20
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

2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 103015799
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 106717702
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-(2-methoxyethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80689226
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 66402644
2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
CID 102940113
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine (CID 103005538) is 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine is COCCNCc1cccn1CCc1cnn(C)c1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is OWTJWRIMPZOELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-12-13(10-16-17)5-8-18-7-3-4-14(18)11-15-6-9-19-2/h3-4,7,10,12,15H,5-6,8-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 103005538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).