6-(pyrrolidin-2-ylmethoxy)-1H-indazole

C12H15N3O — CID 84682883

IUPAC6-(pyrrolidin-2-ylmethoxy)-1H-indazole
SMILESc1cc2cn[nH]c2cc1OCC1CCCN1
InChIInChI=1S/C12H15N3O/c1-2-10(13-5-1)8-16-11-4-3-9-7-14-15-12(9)6-11/h3-4,6-7,10,13H,1-2,5,8H2,(H,14,15)
InChIKeyWPQODACHEQEPJS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.69
Rot. Bonds3

About 6-(pyrrolidin-2-ylmethoxy)-1H-indazole

6-(pyrrolidin-2-ylmethoxy)-1H-indazole (PubChem CID 84682883) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(pyrrolidin-2-ylmethoxy)-1H-indazole.

Molecular Properties

Compound Name6-(pyrrolidin-2-ylmethoxy)-1H-indazole
PubChem CID84682883
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-(pyrrolidin-2-ylmethoxy)-1H-indazole
SMILESc1cc2cn[nH]c2cc1OCC1CCCN1
InChIInChI=1S/C12H15N3O/c1-2-10(13-5-1)8-16-11-4-3-9-7-14-15-12(9)6-11/h3-4,6-7,10,13H,1-2,5,8H2,(H,14,15)
InChIKeyWPQODACHEQEPJS-UHFFFAOYSA-N
XLogP1.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
4-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682893
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
7-(piperidin-2-ylmethoxy)quinoline
CID 107313771
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
5-(piperidin-3-ylmethoxy)-1H-indazole
CID 117051742
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-2-ylmethoxy)-1H-indazole?
The IUPAC name of 6-(pyrrolidin-2-ylmethoxy)-1H-indazole (CID 84682883) is 6-(pyrrolidin-2-ylmethoxy)-1H-indazole.
What is the SMILES notation for 6-(pyrrolidin-2-ylmethoxy)-1H-indazole?
The canonical SMILES for 6-(pyrrolidin-2-ylmethoxy)-1H-indazole is c1cc2cn[nH]c2cc1OCC1CCCN1.
What is the InChIKey of 6-(pyrrolidin-2-ylmethoxy)-1H-indazole?
The InChIKey is WPQODACHEQEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-10(13-5-1)8-16-11-4-3-9-7-14-15-12(9)6-11/h3-4,6-7,10,13H,1-2,5,8H2,(H,14,15).
What are the key properties of 6-(pyrrolidin-2-ylmethoxy)-1H-indazole?
6-(pyrrolidin-2-ylmethoxy)-1H-indazole has a molecular weight of 217.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-2-ylmethoxy)-1H-indazole is sourced from PubChem (CID 84682883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).