1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole

C11H16N4O — CID 116804692

IUPAC1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole
SMILESCCn1cc(OCCn2ccnc2C)cn1
InChIInChI=1S/C11H16N4O/c1-3-15-9-11(8-13-15)16-7-6-14-5-4-12-10(14)2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXMLLOOIFEGBREG-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.49
Rot. Bonds5

About 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole

1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole (PubChem CID 116804692) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole
PubChem CID116804692
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole
SMILESCCn1cc(OCCn2ccnc2C)cn1
InChIInChI=1S/C11H16N4O/c1-3-15-9-11(8-13-15)16-7-6-14-5-4-12-10(14)2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXMLLOOIFEGBREG-UHFFFAOYSA-N
XLogP1.49
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate
CID 54961563
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-ethyl-4-hexoxypyrazole
CID 116804751
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
CID 61493838
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
4-propoxy-1-propylpyrazole
CID 116805185
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
CID 112687525
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole?
The IUPAC name of 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole (CID 116804692) is 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole.
What is the SMILES notation for 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole?
The canonical SMILES for 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole is CCn1cc(OCCn2ccnc2C)cn1.
What is the InChIKey of 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole?
The InChIKey is XMLLOOIFEGBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-15-9-11(8-13-15)16-7-6-14-5-4-12-10(14)2/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole?
1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole has a molecular weight of 220.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole is sourced from PubChem (CID 116804692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).