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

C12H15N3O2 — CID 121214868

IUPAC2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1ccn2nc(C3CCCC3)cc12
InChIInChI=1S/C12H15N3O2/c16-12(17)8-14-5-6-15-11(14)7-10(13-15)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,16,17)
InChIKeyUASQIMPOTCDJML-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.88
Rot. Bonds3

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

2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid (PubChem CID 121214868) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid
PubChem CID121214868
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1ccn2nc(C3CCCC3)cc12
InChIInChI=1S/C12H15N3O2/c16-12(17)8-14-5-6-15-11(14)7-10(13-15)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,16,17)
InChIKeyUASQIMPOTCDJML-UHFFFAOYSA-N
XLogP1.88
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
The IUPAC name of 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid (CID 121214868) is 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid is O=C(O)Cn1ccn2nc(C3CCCC3)cc12.
What is the InChIKey of 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
The InChIKey is UASQIMPOTCDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-12(17)8-14-5-6-15-11(14)7-10(13-15)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,16,17).
What are the key properties of 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid?
2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopentylimidazo[2,1-e]pyrazol-1-yl)acetic acid is sourced from PubChem (CID 121214868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).