3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole

C13H17N3 — CID 84784139

IUPAC3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole
SMILESCc1[nH]nc2cccc(CC3CCNC3)c12
InChIInChI=1S/C13H17N3/c1-9-13-11(7-10-5-6-14-8-10)3-2-4-12(13)16-15-9/h2-4,10,14H,5-8H2,1H3,(H,15,16)
InChIKeyUSSDVIUSPXHVTM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds2

About 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole

3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole (PubChem CID 84784139) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole
PubChem CID84784139
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole
SMILESCc1[nH]nc2cccc(CC3CCNC3)c12
InChIInChI=1S/C13H17N3/c1-9-13-11(7-10-5-6-14-8-10)3-2-4-12(13)16-15-9/h2-4,10,14H,5-8H2,1H3,(H,15,16)
InChIKeyUSSDVIUSPXHVTM-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784140
5-methyl-4-(piperidin-4-ylmethyl)quinoline
CID 18365374
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
CID 117360765
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole?
The IUPAC name of 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole (CID 84784139) is 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole.
What is the SMILES notation for 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole?
The canonical SMILES for 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole is Cc1[nH]nc2cccc(CC3CCNC3)c12.
What is the InChIKey of 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole?
The InChIKey is USSDVIUSPXHVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-13-11(7-10-5-6-14-8-10)3-2-4-12(13)16-15-9/h2-4,10,14H,5-8H2,1H3,(H,15,16).
What are the key properties of 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole?
3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole has a molecular weight of 215.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole is sourced from PubChem (CID 84784139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).