3-pyrrolidin-3-yloxy-1H-indazol-5-ol

C11H13N3O2 — CID 84684581

IUPAC3-pyrrolidin-3-yloxy-1H-indazol-5-ol
SMILESOc1ccc2[nH]nc(OC3CCNC3)c2c1
InChIInChI=1S/C11H13N3O2/c15-7-1-2-10-9(5-7)11(14-13-10)16-8-3-4-12-6-8/h1-2,5,8,12,15H,3-4,6H2,(H,13,14)
InChIKeyGXPYVEXLUAFJET-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.01
Rot. Bonds2

About 3-pyrrolidin-3-yloxy-1H-indazol-5-ol

3-pyrrolidin-3-yloxy-1H-indazol-5-ol (PubChem CID 84684581) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-pyrrolidin-3-yloxy-1H-indazol-5-ol.

Molecular Properties

Compound Name3-pyrrolidin-3-yloxy-1H-indazol-5-ol
PubChem CID84684581
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-pyrrolidin-3-yloxy-1H-indazol-5-ol
SMILESOc1ccc2[nH]nc(OC3CCNC3)c2c1
InChIInChI=1S/C11H13N3O2/c15-7-1-2-10-9(5-7)11(14-13-10)16-8-3-4-12-6-8/h1-2,5,8,12,15H,3-4,6H2,(H,13,14)
InChIKeyGXPYVEXLUAFJET-UHFFFAOYSA-N
XLogP1.01
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yloxy-1H-indazol-5-ol?
The IUPAC name of 3-pyrrolidin-3-yloxy-1H-indazol-5-ol (CID 84684581) is 3-pyrrolidin-3-yloxy-1H-indazol-5-ol.
What is the SMILES notation for 3-pyrrolidin-3-yloxy-1H-indazol-5-ol?
The canonical SMILES for 3-pyrrolidin-3-yloxy-1H-indazol-5-ol is Oc1ccc2[nH]nc(OC3CCNC3)c2c1.
What is the InChIKey of 3-pyrrolidin-3-yloxy-1H-indazol-5-ol?
The InChIKey is GXPYVEXLUAFJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-7-1-2-10-9(5-7)11(14-13-10)16-8-3-4-12-6-8/h1-2,5,8,12,15H,3-4,6H2,(H,13,14).
What are the key properties of 3-pyrrolidin-3-yloxy-1H-indazol-5-ol?
3-pyrrolidin-3-yloxy-1H-indazol-5-ol has a molecular weight of 219.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yloxy-1H-indazol-5-ol is sourced from PubChem (CID 84684581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).