4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole

C15H17BrN2 — CID 55040438

IUPAC4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
SMILESCn1cc(CC2CCc3ccccc3C2Br)cn1
InChIInChI=1S/C15H17BrN2/c1-18-10-11(9-17-18)8-13-7-6-12-4-2-3-5-14(12)15(13)16/h2-5,9-10,13,15H,6-8H2,1H3
InChIKeyRNQFTRPDEZUAAF-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.66
Rot. Bonds2

About 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole

4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole (PubChem CID 55040438) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
PubChem CID55040438
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
SMILESCn1cc(CC2CCc3ccccc3C2Br)cn1
InChIInChI=1S/C15H17BrN2/c1-18-10-11(9-17-18)8-13-7-6-12-4-2-3-5-14(12)15(13)16/h2-5,9-10,13,15H,6-8H2,1H3
InChIKeyRNQFTRPDEZUAAF-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63473353
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433
5-bromo-6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63471259
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
CID 64910348
5-bromo-6-[(3,4-dichlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470691
2-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroinden-1-one
CID 62126753
[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291138
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 72898443
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664575
1-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 86798437

Frequently Asked Questions

What is the IUPAC name of 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole (CID 55040438) is 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole is Cn1cc(CC2CCc3ccccc3C2Br)cn1.
What is the InChIKey of 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole?
The InChIKey is RNQFTRPDEZUAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18-10-11(9-17-18)8-13-7-6-12-4-2-3-5-14(12)15(13)16/h2-5,9-10,13,15H,6-8H2,1H3.
What are the key properties of 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole?
4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole has a molecular weight of 305.22 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole is sourced from PubChem (CID 55040438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).