4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole

C11H17BrN2 — CID 64910348

IUPAC4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
SMILESCC1C(Br)CCC1Cc1cnn(C)c1
InChIInChI=1S/C11H17BrN2/c1-8-10(3-4-11(8)12)5-9-6-13-14(2)7-9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyUYIMKWLYTAMJIN-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.77
Rot. Bonds2

About 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole

4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole (PubChem CID 64910348) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
PubChem CID64910348
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
SMILESCC1C(Br)CCC1Cc1cnn(C)c1
InChIInChI=1S/C11H17BrN2/c1-8-10(3-4-11(8)12)5-9-6-13-14(2)7-9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyUYIMKWLYTAMJIN-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole (CID 64910348) is 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole is CC1C(Br)CCC1Cc1cnn(C)c1.
What is the InChIKey of 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole?
The InChIKey is UYIMKWLYTAMJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8-10(3-4-11(8)12)5-9-6-13-14(2)7-9/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole?
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole has a molecular weight of 257.17 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole is sourced from PubChem (CID 64910348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).