3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole

C12H14BrN3 — CID 117449482

IUPAC3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole
SMILESBrc1[nH]nc2ccc(CC3CCCN3)cc12
InChIInChI=1S/C12H14BrN3/c13-12-10-7-8(3-4-11(10)15-16-12)6-9-2-1-5-14-9/h3-4,7,9,14H,1-2,5-6H2,(H,15,16)
InChIKeyKFYXIXNDABBESA-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.62
Rot. Bonds2

About 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole

3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole (PubChem CID 117449482) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole
PubChem CID117449482
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole
SMILESBrc1[nH]nc2ccc(CC3CCCN3)cc12
InChIInChI=1S/C12H14BrN3/c13-12-10-7-8(3-4-11(10)15-16-12)6-9-2-1-5-14-9/h3-4,7,9,14H,1-2,5-6H2,(H,15,16)
InChIKeyKFYXIXNDABBESA-UHFFFAOYSA-N
XLogP2.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117495047
3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
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2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
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3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole
CID 117473095
6-(pyrrolidin-2-ylmethyl)-2,1-benzoxazole
CID 84776812
5-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 82279461
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 82497430
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole?
The IUPAC name of 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole (CID 117449482) is 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole.
What is the SMILES notation for 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole?
The canonical SMILES for 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole is Brc1[nH]nc2ccc(CC3CCCN3)cc12.
What is the InChIKey of 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole?
The InChIKey is KFYXIXNDABBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-12-10-7-8(3-4-11(10)15-16-12)6-9-2-1-5-14-9/h3-4,7,9,14H,1-2,5-6H2,(H,15,16).
What are the key properties of 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole?
3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole has a molecular weight of 280.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole is sourced from PubChem (CID 117449482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).