5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole

C15H17BrN2 — CID 103013921

IUPAC5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1Cc2ccccc2C1Br
InChIInChI=1S/C15H17BrN2/c1-18-13(8-9-17-18)7-6-12-10-11-4-2-3-5-14(11)15(12)16/h2-5,8-9,12,15H,6-7,10H2,1H3
InChIKeyJZOCJQPMOQNXSK-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.66
Rot. Bonds3

About 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole

5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole (PubChem CID 103013921) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole
PubChem CID103013921
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1Cc2ccccc2C1Br
InChIInChI=1S/C15H17BrN2/c1-18-13(8-9-17-18)7-6-12-10-11-4-2-3-5-14(11)15(12)16/h2-5,8-9,12,15H,6-7,10H2,1H3
InChIKeyJZOCJQPMOQNXSK-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(5-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethyl]-1-methylpyrazole
CID 103013891
2-[2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroinden-1-one
CID 103004235
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
CID 103004598
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 103006067
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-amine
CID 103001943
5-(bromomethyl)-1-methylpyrazole
CID 59589503
4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505002
N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 114528633
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
CID 103020025

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole (CID 103013921) is 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole is Cn1nccc1CCC1Cc2ccccc2C1Br.
What is the InChIKey of 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole?
The InChIKey is JZOCJQPMOQNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18-13(8-9-17-18)7-6-12-10-11-4-2-3-5-14(11)15(12)16/h2-5,8-9,12,15H,6-7,10H2,1H3.
What are the key properties of 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole?
5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole has a molecular weight of 305.22 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole is sourced from PubChem (CID 103013921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).