1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole

C10H16BrClN2 — CID 65011329

IUPAC1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole
SMILESCCCC(CBr)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C10H16BrClN2/c1-3-4-9(5-11)6-14-7-10(12)8(2)13-14/h7,9H,3-6H2,1-2H3
InChIKeyGBSKVQWCPWJNGF-UHFFFAOYSA-N
MW279.61 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole

1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole (PubChem CID 65011329) has the molecular formula C10H16BrClN2 and a molecular weight of 279.61 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole
PubChem CID65011329
Molecular FormulaC10H16BrClN2
Molecular Weight279.61 g/mol
Exact Mass278.02
IUPAC Name1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole
SMILESCCCC(CBr)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C10H16BrClN2/c1-3-4-9(5-11)6-14-7-10(12)8(2)13-14/h7,9H,3-6H2,1-2H3
InChIKeyGBSKVQWCPWJNGF-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 53.66
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-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole (CID 65011329) is 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole is CCCC(CBr)Cn1cc(Cl)c(C)n1.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole?
The InChIKey is GBSKVQWCPWJNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrClN2/c1-3-4-9(5-11)6-14-7-10(12)8(2)13-14/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole?
1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole has a molecular weight of 279.61 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole is sourced from PubChem (CID 65011329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).