7-bromo-1-(pyrrolidin-2-ylmethyl)indazole

C12H14BrN3 — CID 84811810

IUPAC7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
SMILESBrc1cccc2cnn(CC3CCCN3)c12
InChIInChI=1S/C12H14BrN3/c13-11-5-1-3-9-7-15-16(12(9)11)8-10-4-2-6-14-10/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyRDKDUJQRQGGZKF-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.55
Rot. Bonds2

About 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole

7-bromo-1-(pyrrolidin-2-ylmethyl)indazole (PubChem CID 84811810) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole.

Molecular Properties

Compound Name7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
PubChem CID84811810
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
SMILESBrc1cccc2cnn(CC3CCCN3)c12
InChIInChI=1S/C12H14BrN3/c13-11-5-1-3-9-7-15-16(12(9)11)8-10-4-2-6-14-10/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyRDKDUJQRQGGZKF-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidin-2-ylmethyl)furo[2,3-g]indazole
CID 21196558
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
4-(3-bromo-4-methylphenyl)-5-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84609990
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
CID 102548974
1-(3-pyrrolidin-2-ylpropyl)indazole
CID 62480133
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 117232233
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84604183
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84744210

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole?
The IUPAC name of 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole (CID 84811810) is 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole.
What is the SMILES notation for 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole?
The canonical SMILES for 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole is Brc1cccc2cnn(CC3CCCN3)c12.
What is the InChIKey of 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole?
The InChIKey is RDKDUJQRQGGZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-11-5-1-3-9-7-15-16(12(9)11)8-10-4-2-6-14-10/h1,3,5,7,10,14H,2,4,6,8H2.
What are the key properties of 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole?
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole has a molecular weight of 280.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(pyrrolidin-2-ylmethyl)indazole is sourced from PubChem (CID 84811810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).