3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole

C14H19N3 — CID 84793009

IUPAC3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole
SMILESCc1ccc2nn(CC3CCCN3)c(C)c2c1
InChIInChI=1S/C14H19N3/c1-10-5-6-14-13(8-10)11(2)17(16-14)9-12-4-3-7-15-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyURPAJDWPHLQVKZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.41
Rot. Bonds2

About 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole

3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole (PubChem CID 84793009) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole.

Molecular Properties

Compound Name3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole
PubChem CID84793009
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole
SMILESCc1ccc2nn(CC3CCCN3)c(C)c2c1
InChIInChI=1S/C14H19N3/c1-10-5-6-14-13(8-10)11(2)17(16-14)9-12-4-3-7-15-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyURPAJDWPHLQVKZ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91311441
CID 91311441
2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane
CID 176566562
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
3-methyl-1-(piperidin-2-ylmethyl)indazole
CID 84793021
2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
CID 84722956
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119514049
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole?
The IUPAC name of 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole (CID 84793009) is 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole.
What is the SMILES notation for 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole?
The canonical SMILES for 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole is Cc1ccc2nn(CC3CCCN3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole?
The InChIKey is URPAJDWPHLQVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-6-14-13(8-10)11(2)17(16-14)9-12-4-3-7-15-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole?
3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole has a molecular weight of 229.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole is sourced from PubChem (CID 84793009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).