1-(1-ethylindazol-5-yl)pyrrolidin-3-ol

C13H17N3O — CID 175779535

IUPAC1-(1-ethylindazol-5-yl)pyrrolidin-3-ol
SMILESCCn1ncc2cc(N3CCC(O)C3)ccc21
InChIInChI=1S/C13H17N3O/c1-2-16-13-4-3-11(7-10(13)8-14-16)15-6-5-12(17)9-15/h3-4,7-8,12,17H,2,5-6,9H2,1H3
InChIKeyHQLWHWLEQOXMCR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds2

About 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol

1-(1-ethylindazol-5-yl)pyrrolidin-3-ol (PubChem CID 175779535) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-ethylindazol-5-yl)pyrrolidin-3-ol
PubChem CID175779535
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(1-ethylindazol-5-yl)pyrrolidin-3-ol
SMILESCCn1ncc2cc(N3CCC(O)C3)ccc21
InChIInChI=1S/C13H17N3O/c1-2-16-13-4-3-11(7-10(13)8-14-16)15-6-5-12(17)9-15/h3-4,7-8,12,17H,2,5-6,9H2,1H3
InChIKeyHQLWHWLEQOXMCR-UHFFFAOYSA-N
XLogP1.63
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol (CID 175779535) is 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol is CCn1ncc2cc(N3CCC(O)C3)ccc21.
What is the InChIKey of 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol?
The InChIKey is HQLWHWLEQOXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16-13-4-3-11(7-10(13)8-14-16)15-6-5-12(17)9-15/h3-4,7-8,12,17H,2,5-6,9H2,1H3.
What are the key properties of 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol?
1-(1-ethylindazol-5-yl)pyrrolidin-3-ol has a molecular weight of 231.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 175779535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).