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

C14H22N4O — CID 103005563

IUPAC2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CCc2ccnn2C)c1
InChIInChI=1S/C14H22N4O/c1-17-14(3-6-16-17)5-9-18-8-4-13(12-18)11-15-7-10-19-2/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyRSFZNHFNDSIRAT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.20
Rot. Bonds8

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

2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 103005563) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID103005563
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CCc2ccnn2C)c1
InChIInChI=1S/C14H22N4O/c1-17-14(3-6-16-17)5-9-18-8-4-13(12-18)11-15-7-10-19-2/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyRSFZNHFNDSIRAT-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-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine
CID 103015783
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 66414611
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406638
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine (CID 103005563) is 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine is COCCNCc1ccn(CCc2ccnn2C)c1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is RSFZNHFNDSIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-14(3-6-16-17)5-9-18-8-4-13(12-18)11-15-7-10-19-2/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-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-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 103005563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).