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

C12H15N3O — CID 84682893

IUPAC4-(pyrrolidin-2-ylmethoxy)-1H-indazole
SMILESc1cc(OCC2CCCN2)c2cn[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-4-11-10(7-14-15-11)12(5-1)16-8-9-3-2-6-13-9/h1,4-5,7,9,13H,2-3,6,8H2,(H,14,15)
InChIKeyFIWLSLMSTZPUIG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.69
Rot. Bonds3

About 4-(pyrrolidin-2-ylmethoxy)-1H-indazole

4-(pyrrolidin-2-ylmethoxy)-1H-indazole (PubChem CID 84682893) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(pyrrolidin-2-ylmethoxy)-1H-indazole.

Molecular Properties

Compound Name4-(pyrrolidin-2-ylmethoxy)-1H-indazole
PubChem CID84682893
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(pyrrolidin-2-ylmethoxy)-1H-indazole
SMILESc1cc(OCC2CCCN2)c2cn[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-4-11-10(7-14-15-11)12(5-1)16-8-9-3-2-6-13-9/h1,4-5,7,9,13H,2-3,6,8H2,(H,14,15)
InChIKeyFIWLSLMSTZPUIG-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-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682883
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole
CID 90999914
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-2-ylmethoxy)-1H-indazole?
The IUPAC name of 4-(pyrrolidin-2-ylmethoxy)-1H-indazole (CID 84682893) is 4-(pyrrolidin-2-ylmethoxy)-1H-indazole.
What is the SMILES notation for 4-(pyrrolidin-2-ylmethoxy)-1H-indazole?
The canonical SMILES for 4-(pyrrolidin-2-ylmethoxy)-1H-indazole is c1cc(OCC2CCCN2)c2cn[nH]c2c1.
What is the InChIKey of 4-(pyrrolidin-2-ylmethoxy)-1H-indazole?
The InChIKey is FIWLSLMSTZPUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-11-10(7-14-15-11)12(5-1)16-8-9-3-2-6-13-9/h1,4-5,7,9,13H,2-3,6,8H2,(H,14,15).
What are the key properties of 4-(pyrrolidin-2-ylmethoxy)-1H-indazole?
4-(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 4-(pyrrolidin-2-ylmethoxy)-1H-indazole is sourced from PubChem (CID 84682893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).