4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole

C13H20Br2N2 — CID 116540741

IUPAC4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC2(C)CCC(Br)C2)c1Br
InChIInChI=1S/C13H20Br2N2/c1-4-10-12(15)11(17(3)16-10)8-13(2)6-5-9(14)7-13/h9H,4-8H2,1-3H3
InChIKeyRYLUPEACXSEFHV-UHFFFAOYSA-N
MW364.13 g/mol
LogP4.24
Rot. Bonds3

About 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole

4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole (PubChem CID 116540741) has the molecular formula C13H20Br2N2 and a molecular weight of 364.13 g/mol. Its IUPAC name is 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole
PubChem CID116540741
Molecular FormulaC13H20Br2N2
Molecular Weight364.13 g/mol
Exact Mass362.00
IUPAC Name4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC2(C)CCC(Br)C2)c1Br
InChIInChI=1S/C13H20Br2N2/c1-4-10-12(15)11(17(3)16-10)8-13(2)6-5-9(14)7-13/h9H,4-8H2,1-3H3
InChIKeyRYLUPEACXSEFHV-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.13
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-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

5-[(3-bromo-1-methylcyclopentyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 116540540
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66024880
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
3-bromo-8-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669499
1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823266
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187109
4-bromo-5-[(4-bromothiolan-3-yl)methyl]-3-ethyl-1-methylpyrazole
CID 83190191
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107187107
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
CID 115810644
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212296
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754378
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569735

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole (CID 116540741) is 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole is CCc1nn(C)c(CC2(C)CCC(Br)C2)c1Br.
What is the InChIKey of 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole?
The InChIKey is RYLUPEACXSEFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2/c1-4-10-12(15)11(17(3)16-10)8-13(2)6-5-9(14)7-13/h9H,4-8H2,1-3H3.
What are the key properties of 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole?
4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole has a molecular weight of 364.13 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3-bromo-1-methylcyclopentyl)methyl]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 116540741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).