4-bromo-1,5-diethylpyrazole

C7H11BrN2 — CID 66959053

IUPAC4-bromo-1,5-diethylpyrazole
SMILESCCc1c(Br)cnn1CC
InChIInChI=1S/C7H11BrN2/c1-3-7-6(8)5-9-10(7)4-2/h5H,3-4H2,1-2H3
InChIKeyAGVGJHSDZFNQFR-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.23
Rot. Bonds2

About 4-bromo-1,5-diethylpyrazole

4-bromo-1,5-diethylpyrazole (PubChem CID 66959053) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 4-bromo-1,5-diethylpyrazole.

Molecular Properties

Compound Name4-bromo-1,5-diethylpyrazole
PubChem CID66959053
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name4-bromo-1,5-diethylpyrazole
SMILESCCc1c(Br)cnn1CC
InChIInChI=1S/C7H11BrN2/c1-3-7-6(8)5-9-10(7)4-2/h5H,3-4H2,1-2H3
InChIKeyAGVGJHSDZFNQFR-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1,5-diethylpyrazole 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

4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
1-(4-bromo-1-ethylpyrazol-5-yl)hexan-3-one
CID 114663551
N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662776
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
4-bromo-1-ethylpyrazole-5-carbaldehyde
CID 7019417
1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine
CID 114664295
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
CID 114663323
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1,5-diethylpyrazole-4-sulfonyl chloride
CID 45156551

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-diethylpyrazole?
The IUPAC name of 4-bromo-1,5-diethylpyrazole (CID 66959053) is 4-bromo-1,5-diethylpyrazole.
What is the SMILES notation for 4-bromo-1,5-diethylpyrazole?
The canonical SMILES for 4-bromo-1,5-diethylpyrazole is CCc1c(Br)cnn1CC.
What is the InChIKey of 4-bromo-1,5-diethylpyrazole?
The InChIKey is AGVGJHSDZFNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-3-7-6(8)5-9-10(7)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-bromo-1,5-diethylpyrazole?
4-bromo-1,5-diethylpyrazole has a molecular weight of 203.08 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-diethylpyrazole is sourced from PubChem (CID 66959053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).