1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole

C14H19N3 — CID 84692879

IUPAC1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
SMILESCc1cccc2c(CC3CCNC3)nn(C)c12
InChIInChI=1S/C14H19N3/c1-10-4-3-5-12-13(16-17(2)14(10)12)8-11-6-7-15-9-11/h3-5,11,15H,6-9H2,1-2H3
InChIKeyJLMBDIWTGSOJIK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.03
Rot. Bonds2

About 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole

1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole (PubChem CID 84692879) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole.

Molecular Properties

Compound Name1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
PubChem CID84692879
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
SMILESCc1cccc2c(CC3CCNC3)nn(C)c12
InChIInChI=1S/C14H19N3/c1-10-4-3-5-12-13(16-17(2)14(10)12)8-11-6-7-15-9-11/h3-5,11,15H,6-9H2,1-2H3
InChIKeyJLMBDIWTGSOJIK-UHFFFAOYSA-N
XLogP2.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole
CID 84693586
3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
CID 117493169
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84636732
ethane;1,3,7-trimethylindazole
CID 171820763
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine
CID 83840488

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole?
The IUPAC name of 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole (CID 84692879) is 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole.
What is the SMILES notation for 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole?
The canonical SMILES for 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole is Cc1cccc2c(CC3CCNC3)nn(C)c12.
What is the InChIKey of 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole?
The InChIKey is JLMBDIWTGSOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-4-3-5-12-13(16-17(2)14(10)12)8-11-6-7-15-9-11/h3-5,11,15H,6-9H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole?
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole has a molecular weight of 229.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole is sourced from PubChem (CID 84692879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).