7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole

C13H16FN3 — CID 84796113

IUPAC7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole
SMILESCc1c2cccc(F)c2nn1CC1CCNC1
InChIInChI=1S/C13H16FN3/c1-9-11-3-2-4-12(14)13(11)16-17(9)8-10-5-6-15-7-10/h2-4,10,15H,5-8H2,1H3
InChIKeyHXRMIENWTMVBCC-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.09
Rot. Bonds2

About 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole

7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole (PubChem CID 84796113) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole.

Molecular Properties

Compound Name7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole
PubChem CID84796113
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole
SMILESCc1c2cccc(F)c2nn1CC1CCNC1
InChIInChI=1S/C13H16FN3/c1-9-11-3-2-4-12(14)13(11)16-17(9)8-10-5-6-15-7-10/h2-4,10,15H,5-8H2,1H3
InChIKeyHXRMIENWTMVBCC-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-8-fluoro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264662
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115013206
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
4-fluoro-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84628386
ethene;8-fluoro-4-(piperidin-3-ylmethyl)quinoline;2-(2-methylphenyl)triazole
CID 143981207
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 11631528
4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
CID 84786770
3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784139

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole?
The IUPAC name of 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole (CID 84796113) is 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole.
What is the SMILES notation for 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole?
The canonical SMILES for 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole is Cc1c2cccc(F)c2nn1CC1CCNC1.
What is the InChIKey of 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole?
The InChIKey is HXRMIENWTMVBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-11-3-2-4-12(14)13(11)16-17(9)8-10-5-6-15-7-10/h2-4,10,15H,5-8H2,1H3.
What are the key properties of 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole?
7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole has a molecular weight of 233.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole is sourced from PubChem (CID 84796113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).