1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole

C11H17BrN2 — CID 65001484

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole
SMILESCc1cnn(CC2(CBr)CCCC2)c1
InChIInChI=1S/C11H17BrN2/c1-10-6-13-14(7-10)9-11(8-12)4-2-3-5-11/h6-7H,2-5,8-9H2,1H3
InChIKeyMNNKWUZWKJUNQF-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.15
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole (PubChem CID 65001484) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole
PubChem CID65001484
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole
SMILESCc1cnn(CC2(CBr)CCCC2)c1
InChIInChI=1S/C11H17BrN2/c1-10-6-13-14(7-10)9-11(8-12)4-2-3-5-11/h6-7H,2-5,8-9H2,1H3
InChIKeyMNNKWUZWKJUNQF-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole (CID 65001484) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole is Cc1cnn(CC2(CBr)CCCC2)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole?
The InChIKey is MNNKWUZWKJUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-10-6-13-14(7-10)9-11(8-12)4-2-3-5-11/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole?
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole has a molecular weight of 257.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole is sourced from PubChem (CID 65001484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).