1,6-dimethyl-3-pyrrolidin-3-yloxyindazole

C13H17N3O — CID 84694851

IUPAC1,6-dimethyl-3-pyrrolidin-3-yloxyindazole
SMILESCc1ccc2c(OC3CCNC3)nn(C)c2c1
InChIInChI=1S/C13H17N3O/c1-9-3-4-11-12(7-9)16(2)15-13(11)17-10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyXUSKTLHINWVKSO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.62
Rot. Bonds2

About 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole

1,6-dimethyl-3-pyrrolidin-3-yloxyindazole (PubChem CID 84694851) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole.

Molecular Properties

Compound Name1,6-dimethyl-3-pyrrolidin-3-yloxyindazole
PubChem CID84694851
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1,6-dimethyl-3-pyrrolidin-3-yloxyindazole
SMILESCc1ccc2c(OC3CCNC3)nn(C)c2c1
InChIInChI=1S/C13H17N3O/c1-9-3-4-11-12(7-9)16(2)15-13(11)17-10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyXUSKTLHINWVKSO-UHFFFAOYSA-N
XLogP1.62
TPSA39.08 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-piperidin-3-yloxyindazole
CID 84694858
4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
3-(4-methylphenoxy)pyrrolidine
CID 18337173
6-methyl-3-piperidin-4-yloxy-1H-indazole
CID 84694852
3-bromo-1-methyl-6-piperidin-4-yloxyindazole
CID 177142361
3-(2,4,6-trimethylphenoxy)pyrrolidine
CID 83532626
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
3-bromo-5-methyl-2-pyrrolidin-3-yloxypyridine
CID 105368575
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole?
The IUPAC name of 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole (CID 84694851) is 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole.
What is the SMILES notation for 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole?
The canonical SMILES for 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole is Cc1ccc2c(OC3CCNC3)nn(C)c2c1.
What is the InChIKey of 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole?
The InChIKey is XUSKTLHINWVKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-4-11-12(7-9)16(2)15-13(11)17-10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole?
1,6-dimethyl-3-pyrrolidin-3-yloxyindazole has a molecular weight of 231.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-pyrrolidin-3-yloxyindazole is sourced from PubChem (CID 84694851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).