N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine

C14H22N4O — CID 66406638

IUPACN-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccn(Cc2cc(C)nn2C)c1
InChIInChI=1S/C14H22N4O/c1-12-8-14(17(2)16-12)11-18-6-4-13(10-18)9-15-5-7-19-3/h4,6,8,10,15H,5,7,9,11H2,1-3H3
InChIKeyMESANYNDYVMGSB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.31
Rot. Bonds7

About N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine

N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine (PubChem CID 66406638) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
PubChem CID66406638
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccn(Cc2cc(C)nn2C)c1
InChIInChI=1S/C14H22N4O/c1-12-8-14(17(2)16-12)11-18-6-4-13(10-18)9-15-5-7-19-3/h4,6,8,10,15H,5,7,9,11H2,1-3H3
InChIKeyMESANYNDYVMGSB-UHFFFAOYSA-N
XLogP1.31
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.31
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-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189
2-methoxy-N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404206
2-methoxy-N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 102878015
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66404611
N-[[1-[(3-bromophenyl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66404821
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049
N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66405427
2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404405

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine (CID 66406638) is N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine is COCCNCc1ccn(Cc2cc(C)nn2C)c1.
What is the InChIKey of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is MESANYNDYVMGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12-8-14(17(2)16-12)11-18-6-4-13(10-18)9-15-5-7-19-3/h4,6,8,10,15H,5,7,9,11H2,1-3H3.
What are the key properties of N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine?
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66406638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).