N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C14H23N5O — CID 91833629

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCOCCn1cncc1CN(C)CCc1cnn(C)c1
InChIInChI=1S/C14H23N5O/c1-17(5-4-13-8-16-18(2)10-13)11-14-9-15-12-19(14)6-7-20-3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyJPJJKZRKEDNJPO-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.94
Rot. Bonds8

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 91833629) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID91833629
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCOCCn1cncc1CN(C)CCc1cnn(C)c1
InChIInChI=1S/C14H23N5O/c1-17(5-4-13-8-16-18(2)10-13)11-14-9-15-12-19(14)6-7-20-3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyJPJJKZRKEDNJPO-UHFFFAOYSA-N
XLogP0.94
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 91833629) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is COCCn1cncc1CN(C)CCc1cnn(C)c1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is JPJJKZRKEDNJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17(5-4-13-8-16-18(2)10-13)11-14-9-15-12-19(14)6-7-20-3/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 0.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 91833629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).