4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole

C10H16Br2N2 — CID 66048082

IUPAC4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC(C)CBr)c1Br
InChIInChI=1S/C10H16Br2N2/c1-4-8-10(12)9(14(3)13-8)5-7(2)6-11/h7H,4-6H2,1-3H3
InChIKeyNJEVOZGZFOEYAV-UHFFFAOYSA-N
MW324.06 g/mol
LogP3.32
Rot. Bonds4

About 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole

4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole (PubChem CID 66048082) has the molecular formula C10H16Br2N2 and a molecular weight of 324.06 g/mol. Its IUPAC name is 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
PubChem CID66048082
Molecular FormulaC10H16Br2N2
Molecular Weight324.06 g/mol
Exact Mass321.97
IUPAC Name4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC(C)CBr)c1Br
InChIInChI=1S/C10H16Br2N2/c1-4-8-10(12)9(14(3)13-8)5-7(2)6-11/h7H,4-6H2,1-3H3
InChIKeyNJEVOZGZFOEYAV-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 53.32
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

4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81019761
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
4-bromo-5-[2-(chloromethyl)-3-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66036122
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-4-methylsulfanylbutan-2-amine
CID 114221988
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethylbutanoic acid
CID 81009375
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpentan-2-yl]hydrazine
CID 105314862
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017466
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616432
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methyl-N-propylhexan-2-amine
CID 104994586
(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702766

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole (CID 66048082) is 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole is CCc1nn(C)c(CC(C)CBr)c1Br.
What is the InChIKey of 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole?
The InChIKey is NJEVOZGZFOEYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2/c1-4-8-10(12)9(14(3)13-8)5-7(2)6-11/h7H,4-6H2,1-3H3.
What are the key properties of 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole?
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole has a molecular weight of 324.06 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 66048082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).