1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole

C15H23N5O — CID 91832467

IUPAC1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole
SMILESCOCCn1cncc1CN1CC(n2nc(C)cc2C)C1
InChIInChI=1S/C15H23N5O/c1-12-6-13(2)20(17-12)15-9-18(10-15)8-14-7-16-11-19(14)4-5-21-3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyGXIOWPIZJXYLHR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.40
Rot. Bonds6

About 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole

1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole (PubChem CID 91832467) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole
PubChem CID91832467
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole
SMILESCOCCn1cncc1CN1CC(n2nc(C)cc2C)C1
InChIInChI=1S/C15H23N5O/c1-12-6-13(2)20(17-12)15-9-18(10-15)8-14-7-16-11-19(14)4-5-21-3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyGXIOWPIZJXYLHR-UHFFFAOYSA-N
XLogP1.40
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole (CID 91832467) is 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole is COCCn1cncc1CN1CC(n2nc(C)cc2C)C1.
What is the InChIKey of 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole?
The InChIKey is GXIOWPIZJXYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-6-13(2)20(17-12)15-9-18(10-15)8-14-7-16-11-19(14)4-5-21-3/h6-7,11,15H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole?
1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole has a molecular weight of 289.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole is sourced from PubChem (CID 91832467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).