5-(5-bromo-3-methylhexyl)-1-methylpyrazole

C11H19BrN2 — CID 103016082

IUPAC5-(5-bromo-3-methylhexyl)-1-methylpyrazole
SMILESCC(Br)CC(C)CCc1ccnn1C
InChIInChI=1S/C11H19BrN2/c1-9(8-10(2)12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyHGMZOWFMTIJKOC-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.16
Rot. Bonds5

About 5-(5-bromo-3-methylhexyl)-1-methylpyrazole

5-(5-bromo-3-methylhexyl)-1-methylpyrazole (PubChem CID 103016082) has the molecular formula C11H19BrN2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 5-(5-bromo-3-methylhexyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(5-bromo-3-methylhexyl)-1-methylpyrazole
PubChem CID103016082
Molecular FormulaC11H19BrN2
Molecular Weight259.19 g/mol
Exact Mass258.07
IUPAC Name5-(5-bromo-3-methylhexyl)-1-methylpyrazole
SMILESCC(Br)CC(C)CCc1ccnn1C
InChIInChI=1S/C11H19BrN2/c1-9(8-10(2)12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyHGMZOWFMTIJKOC-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(5-bromo-3-methylhexyl)-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

5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
3-fluoro-5-(2-methylpyrazol-3-yl)-2-propan-2-ylpentan-1-amine
CID 107443711
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-methylhexyl)-1-methylpyrazole?
The IUPAC name of 5-(5-bromo-3-methylhexyl)-1-methylpyrazole (CID 103016082) is 5-(5-bromo-3-methylhexyl)-1-methylpyrazole.
What is the SMILES notation for 5-(5-bromo-3-methylhexyl)-1-methylpyrazole?
The canonical SMILES for 5-(5-bromo-3-methylhexyl)-1-methylpyrazole is CC(Br)CC(C)CCc1ccnn1C.
What is the InChIKey of 5-(5-bromo-3-methylhexyl)-1-methylpyrazole?
The InChIKey is HGMZOWFMTIJKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2/c1-9(8-10(2)12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 5-(5-bromo-3-methylhexyl)-1-methylpyrazole?
5-(5-bromo-3-methylhexyl)-1-methylpyrazole has a molecular weight of 259.19 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-methylhexyl)-1-methylpyrazole is sourced from PubChem (CID 103016082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).