3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole

C15H25BrN2 — CID 64907749

IUPAC3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole
SMILESCCC(CC)n1ccc(CC2CCC(Br)C2C)n1
InChIInChI=1S/C15H25BrN2/c1-4-14(5-2)18-9-8-13(17-18)10-12-6-7-15(16)11(12)3/h8-9,11-12,14-15H,4-7,10H2,1-3H3
InChIKeyOXXOMNRCAMSZPZ-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.60
Rot. Bonds5

About 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole

3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole (PubChem CID 64907749) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole.

Molecular Properties

Compound Name3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole
PubChem CID64907749
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole
SMILESCCC(CC)n1ccc(CC2CCC(Br)C2C)n1
InChIInChI=1S/C15H25BrN2/c1-4-14(5-2)18-9-8-13(17-18)10-12-6-7-15(16)11(12)3/h8-9,11-12,14-15H,4-7,10H2,1-3H3
InChIKeyOXXOMNRCAMSZPZ-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.60
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

2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 81013620
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64921580
4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole
CID 130592251
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
CID 106469287
5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
CID 104812252
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-one
CID 106468639
2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64799094
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 65402570

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole?
The IUPAC name of 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole (CID 64907749) is 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole.
What is the SMILES notation for 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole?
The canonical SMILES for 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole is CCC(CC)n1ccc(CC2CCC(Br)C2C)n1.
What is the InChIKey of 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole?
The InChIKey is OXXOMNRCAMSZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-4-14(5-2)18-9-8-13(17-18)10-12-6-7-15(16)11(12)3/h8-9,11-12,14-15H,4-7,10H2,1-3H3.
What are the key properties of 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole?
3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole has a molecular weight of 313.28 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole is sourced from PubChem (CID 64907749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).