2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine

C14H23N5O — CID 106720594

IUPAC2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(Cc2ccn(C(C)C)n2)cn1
InChIInChI=1S/C14H23N5O/c1-12(2)19-6-4-13(17-19)9-18-10-14(16-11-18)8-15-5-7-20-3/h4,6,10-12,15H,5,7-9H2,1-3H3
InChIKeyGHHLRCPKJVNDAE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds8

About 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106720594) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106720594
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(Cc2ccn(C(C)C)n2)cn1
InChIInChI=1S/C14H23N5O/c1-12(2)19-6-4-13(17-19)9-18-10-14(16-11-18)8-15-5-7-20-3/h4,6,10-12,15H,5,7-9H2,1-3H3
InChIKeyGHHLRCPKJVNDAE-UHFFFAOYSA-N
XLogP1.44
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
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-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720446
2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472
2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720568
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983157
N-[[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720607
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106720594) is 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is COCCNCc1cn(Cc2ccn(C(C)C)n2)cn1.
What is the InChIKey of 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is GHHLRCPKJVNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-12(2)19-6-4-13(17-19)9-18-10-14(16-11-18)8-15-5-7-20-3/h4,6,10-12,15H,5,7-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 1.44, 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-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106720594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).