7-methoxy-1-pyrrolidin-3-ylindazole

C12H15N3O — CID 84682928

IUPAC7-methoxy-1-pyrrolidin-3-ylindazole
SMILESCOc1cccc2cnn(C3CCNC3)c12
InChIInChI=1S/C12H15N3O/c1-16-11-4-2-3-9-7-14-15(12(9)11)10-5-6-13-8-10/h2-4,7,10,13H,5-6,8H2,1H3
InChIKeyPLRGSQIICWMTBG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.58
Rot. Bonds2

About 7-methoxy-1-pyrrolidin-3-ylindazole

7-methoxy-1-pyrrolidin-3-ylindazole (PubChem CID 84682928) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-methoxy-1-pyrrolidin-3-ylindazole.

Molecular Properties

Compound Name7-methoxy-1-pyrrolidin-3-ylindazole
PubChem CID84682928
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-methoxy-1-pyrrolidin-3-ylindazole
SMILESCOc1cccc2cnn(C3CCNC3)c12
InChIInChI=1S/C12H15N3O/c1-16-11-4-2-3-9-7-14-15(12(9)11)10-5-6-13-8-10/h2-4,7,10,13H,5-6,8H2,1H3
InChIKeyPLRGSQIICWMTBG-UHFFFAOYSA-N
XLogP1.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-pyrrolidin-3-yl]indazole
CID 94401525
2-pyrrolidin-3-ylphthalazin-1-one
CID 82105279
4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole
CID 115055509
7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
CID 172718042
7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride
CID 91798531
4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055478
5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
CID 117231772
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine
CID 130247776
3-cyclobutyl-5-methoxy-1-pyrrolidin-3-ylpyrazole
CID 84724817
4-methoxy-6-[5-methyl-1-[(3R)-pyrrolidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
CID 175797208
5-methoxy-3-propyl-1-pyrrolidin-3-ylpyrazole
CID 84722964
3-methyl-1-pyrrolidin-3-ylindazol-7-ol
CID 84682925

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-pyrrolidin-3-ylindazole?
The IUPAC name of 7-methoxy-1-pyrrolidin-3-ylindazole (CID 84682928) is 7-methoxy-1-pyrrolidin-3-ylindazole.
What is the SMILES notation for 7-methoxy-1-pyrrolidin-3-ylindazole?
The canonical SMILES for 7-methoxy-1-pyrrolidin-3-ylindazole is COc1cccc2cnn(C3CCNC3)c12.
What is the InChIKey of 7-methoxy-1-pyrrolidin-3-ylindazole?
The InChIKey is PLRGSQIICWMTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-11-4-2-3-9-7-14-15(12(9)11)10-5-6-13-8-10/h2-4,7,10,13H,5-6,8H2,1H3.
What are the key properties of 7-methoxy-1-pyrrolidin-3-ylindazole?
7-methoxy-1-pyrrolidin-3-ylindazole has a molecular weight of 217.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-pyrrolidin-3-ylindazole is sourced from PubChem (CID 84682928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).