5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H18BrN3 — CID 103851430

IUPAC5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1c(CNC2CCc3cc(Br)ccc32)cnn1C
InChIInChI=1S/C15H18BrN3/c1-10-12(9-18-19(10)2)8-17-15-6-3-11-7-13(16)4-5-14(11)15/h4-5,7,9,15,17H,3,6,8H2,1-2H3
InChIKeyCABVHAVBGPOKIO-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.27
Rot. Bonds3

About 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103851430) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103851430
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1c(CNC2CCc3cc(Br)ccc32)cnn1C
InChIInChI=1S/C15H18BrN3/c1-10-12(9-18-19(10)2)8-17-15-6-3-11-7-13(16)4-5-14(11)15/h4-5,7,9,15,17H,3,6,8H2,1-2H3
InChIKeyCABVHAVBGPOKIO-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 106038711
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103905323
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 75389953
5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 112700049
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 115595888
N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
CID 52510873
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 79579398
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 103851430) is 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1c(CNC2CCc3cc(Br)ccc32)cnn1C.
What is the InChIKey of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CABVHAVBGPOKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-12(9-18-19(10)2)8-17-15-6-3-11-7-13(16)4-5-14(11)15/h4-5,7,9,15,17H,3,6,8H2,1-2H3.
What are the key properties of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103851430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).