3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole

C11H17BrN2 — CID 82872091

IUPAC3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
SMILESCn1ccc(CC2(CBr)CCCC2)n1
InChIInChI=1S/C11H17BrN2/c1-14-7-4-10(13-14)8-11(9-12)5-2-3-6-11/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyJATWQFPKEIEZAW-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.92
Rot. Bonds3

About 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole

3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole (PubChem CID 82872091) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
PubChem CID82872091
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
SMILESCn1ccc(CC2(CBr)CCCC2)n1
InChIInChI=1S/C11H17BrN2/c1-14-7-4-10(13-14)8-11(9-12)5-2-3-6-11/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyJATWQFPKEIEZAW-UHFFFAOYSA-N
XLogP2.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[1-(bromomethyl)cyclopentyl]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

[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101
2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869673
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole?
The IUPAC name of 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole (CID 82872091) is 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole?
The canonical SMILES for 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole is Cn1ccc(CC2(CBr)CCCC2)n1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole?
The InChIKey is JATWQFPKEIEZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-14-7-4-10(13-14)8-11(9-12)5-2-3-6-11/h4,7H,2-3,5-6,8-9H2,1H3.
What are the key properties of 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole?
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole has a molecular weight of 257.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole is sourced from PubChem (CID 82872091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).