2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid

C11H13N3O2 — CID 121214849

IUPAC2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1ccn2nc(C3CCC3)cc12
InChIInChI=1S/C11H13N3O2/c15-11(16)7-13-4-5-14-10(13)6-9(12-14)8-2-1-3-8/h4-6,8H,1-3,7H2,(H,15,16)
InChIKeyHFLKHPKMGTVXLJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.49
Rot. Bonds3

About 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid

2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid (PubChem CID 121214849) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid
PubChem CID121214849
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1ccn2nc(C3CCC3)cc12
InChIInChI=1S/C11H13N3O2/c15-11(16)7-13-4-5-14-10(13)6-9(12-14)8-2-1-3-8/h4-6,8H,1-3,7H2,(H,15,16)
InChIKeyHFLKHPKMGTVXLJ-UHFFFAOYSA-N
XLogP1.49
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
The IUPAC name of 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid (CID 121214849) is 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid is O=C(O)Cn1ccn2nc(C3CCC3)cc12.
What is the InChIKey of 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
The InChIKey is HFLKHPKMGTVXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11(16)7-13-4-5-14-10(13)6-9(12-14)8-2-1-3-8/h4-6,8H,1-3,7H2,(H,15,16).
What are the key properties of 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)acetic acid is sourced from PubChem (CID 121214849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).