4-bromo-1-ethyl-5-propylpyrazole

C8H13BrN2 — CID 105470593

IUPAC4-bromo-1-ethyl-5-propylpyrazole
SMILESCCCc1c(Br)cnn1CC
InChIInChI=1S/C8H13BrN2/c1-3-5-8-7(9)6-10-11(8)4-2/h6H,3-5H2,1-2H3
InChIKeyIYCZOLOUVRCCFM-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.62
Rot. Bonds3

About 4-bromo-1-ethyl-5-propylpyrazole

4-bromo-1-ethyl-5-propylpyrazole (PubChem CID 105470593) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 4-bromo-1-ethyl-5-propylpyrazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-5-propylpyrazole
PubChem CID105470593
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name4-bromo-1-ethyl-5-propylpyrazole
SMILESCCCc1c(Br)cnn1CC
InChIInChI=1S/C8H13BrN2/c1-3-5-8-7(9)6-10-11(8)4-2/h6H,3-5H2,1-2H3
InChIKeyIYCZOLOUVRCCFM-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1,5-diethylpyrazole
CID 66959053
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-(bromomethyl)-1-ethyl-5-propylpyrazole
CID 66437286
1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine
CID 114664295
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
1-(1-ethyl-5-propylpyrazol-4-yl)ethanamine
CID 105439739
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
4-bromo-1-ethylpyrazole-5-carbaldehyde
CID 7019417
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
CID 105464288

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-5-propylpyrazole?
The IUPAC name of 4-bromo-1-ethyl-5-propylpyrazole (CID 105470593) is 4-bromo-1-ethyl-5-propylpyrazole.
What is the SMILES notation for 4-bromo-1-ethyl-5-propylpyrazole?
The canonical SMILES for 4-bromo-1-ethyl-5-propylpyrazole is CCCc1c(Br)cnn1CC.
What is the InChIKey of 4-bromo-1-ethyl-5-propylpyrazole?
The InChIKey is IYCZOLOUVRCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-3-5-8-7(9)6-10-11(8)4-2/h6H,3-5H2,1-2H3.
What are the key properties of 4-bromo-1-ethyl-5-propylpyrazole?
4-bromo-1-ethyl-5-propylpyrazole has a molecular weight of 217.11 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-5-propylpyrazole is sourced from PubChem (CID 105470593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).