5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

C15H18BrN3 — CID 112700049

IUPAC5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc2c(c1)CCC2NCCCn1cccn1
InChIInChI=1S/C15H18BrN3/c16-13-4-5-14-12(11-13)3-6-15(14)17-7-1-9-19-10-2-8-18-19/h2,4-5,8,10-11,15,17H,1,3,6-7,9H2
InChIKeyRONWHYKTZOPUMZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.31
Rot. Bonds5

About 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 112700049) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID112700049
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc2c(c1)CCC2NCCCn1cccn1
InChIInChI=1S/C15H18BrN3/c16-13-4-5-14-12(11-13)3-6-15(14)17-7-1-9-19-10-2-8-18-19/h2,4-5,8,10-11,15,17H,1,3,6-7,9H2
InChIKeyRONWHYKTZOPUMZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 97229636
6-bromo-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115708570
5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115888863
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
1-methyl-N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115708690
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103851430
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724117
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777124
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
2-bromo-N-(2-pyrazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690320

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 112700049) is 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is Brc1ccc2c(c1)CCC2NCCCn1cccn1.
What is the InChIKey of 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RONWHYKTZOPUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-13-4-5-14-12(11-13)3-6-15(14)17-7-1-9-19-10-2-8-18-19/h2,4-5,8,10-11,15,17H,1,3,6-7,9H2.
What are the key properties of 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 112700049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).