5-bromo-1-ethyl-3-methylpyrazole

C6H9BrN2 — CID 84661821

IUPAC5-bromo-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1Br
InChIInChI=1S/C6H9BrN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3
InChIKeyNMEIZBCGEUQTET-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.97
Rot. Bonds1

About 5-bromo-1-ethyl-3-methylpyrazole

5-bromo-1-ethyl-3-methylpyrazole (PubChem CID 84661821) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-methylpyrazole
PubChem CID84661821
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name5-bromo-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1Br
InChIInChI=1S/C6H9BrN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3
InChIKeyNMEIZBCGEUQTET-UHFFFAOYSA-N
XLogP1.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dibromo-1,5-dimethylpyrazole
CID 911172
5-Bromo-1,3-dimethyl-1H-pyrazole
CID 21724031
5-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12035665
5-bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 12061635
3-Bromo-1,5-dimethyl-1H-pyrazole
CID 21724046
3-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 105486135
4-bromo-1-ethyl-5-methyl-1H-pyrazole
CID 25219331
1-(2-bromoethyl)-5-methyl-1H-pyrazole
CID 64467554
1H-Pyrazole, 3-bromo-5-methyl-1-(1-methylethyl)-
CID 66509449
3-bromo-1-methyl-1H-pyrazole-5-carbonitrile
CID 89914907
5-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole
CID 118270534
3-Bromo-5-(difluoromethyl)-1-methyl-1H-pyrazole
CID 164886200

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-methylpyrazole?
The IUPAC name of 5-bromo-1-ethyl-3-methylpyrazole (CID 84661821) is 5-bromo-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 5-bromo-1-ethyl-3-methylpyrazole?
The canonical SMILES for 5-bromo-1-ethyl-3-methylpyrazole is CCn1nc(C)cc1Br.
What is the InChIKey of 5-bromo-1-ethyl-3-methylpyrazole?
The InChIKey is NMEIZBCGEUQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3.
What are the key properties of 5-bromo-1-ethyl-3-methylpyrazole?
5-bromo-1-ethyl-3-methylpyrazole has a molecular weight of 189.06 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 84661821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).