4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole

C7H10Br2N2 — CID 81223578

IUPAC4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CBr)c1Br
InChIInChI=1S/C7H10Br2N2/c1-3-5-7(9)6(4-8)11(2)10-5/h3-4H2,1-2H3
InChIKeyGNZRRCNVZBTEPK-UHFFFAOYSA-N
MW281.98 g/mol
LogP2.64
Rot. Bonds2

About 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole

4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole (PubChem CID 81223578) has the molecular formula C7H10Br2N2 and a molecular weight of 281.98 g/mol. Its IUPAC name is 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
PubChem CID81223578
Molecular FormulaC7H10Br2N2
Molecular Weight281.98 g/mol
Exact Mass279.92
IUPAC Name4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CBr)c1Br
InChIInChI=1S/C7H10Br2N2/c1-3-5-7(9)6(4-8)11(2)10-5/h3-4H2,1-2H3
InChIKeyGNZRRCNVZBTEPK-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.98
LogP ≤ 52.64
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-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
4-bromo-5-[2-(bromomethyl)-2-ethylbutyl]-3-ethyl-1-methylpyrazole
CID 66050243
4-bromo-5-(3-chloro-2,2-dimethylpropyl)-3-ethyl-1-methylpyrazole
CID 66058486
5-bromo-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 107320285
4-bromo-5-[2-(chloromethyl)-3-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66036122
4-bromo-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033623
4-bromo-5-[(4-bromothiolan-3-yl)methyl]-3-ethyl-1-methylpyrazole
CID 83190191
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-hydroxybutan-2-one
CID 103451555
(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702766
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83138601
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092896
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]octan-1-amine
CID 115567685

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole (CID 81223578) is 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole is CCc1nn(C)c(CBr)c1Br.
What is the InChIKey of 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole?
The InChIKey is GNZRRCNVZBTEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N2/c1-3-5-7(9)6(4-8)11(2)10-5/h3-4H2,1-2H3.
What are the key properties of 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole?
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole has a molecular weight of 281.98 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 81223578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).