4-bromo-1-ethylpyrazole-5-carbaldehyde

C6H7BrN2O — CID 7019417

IUPAC4-bromo-1-ethylpyrazole-5-carbaldehyde
SMILESCCn1ncc(Br)c1C=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3
InChIKeyKDZYNSUALWYJIU-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.48
Rot. Bonds2

About 4-bromo-1-ethylpyrazole-5-carbaldehyde

4-bromo-1-ethylpyrazole-5-carbaldehyde (PubChem CID 7019417) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 4-bromo-1-ethylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1-ethylpyrazole-5-carbaldehyde
PubChem CID7019417
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name4-bromo-1-ethylpyrazole-5-carbaldehyde
SMILESCCn1ncc(Br)c1C=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3
InChIKeyKDZYNSUALWYJIU-UHFFFAOYSA-N
XLogP1.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1,5-diethylpyrazole
CID 66959053
4-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-5-carbaldehyde
CID 154722593
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
(E)-4-(4-bromo-1-ethylpyrazol-5-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114666268
(5E)-5-[(4-bromo-1-ethylpyrazol-5-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 135770942
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
(E)-3-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 19563272
(E)-3-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-chloro-1-methylpyrazol-3-yl)prop-2-en-1-one
CID 19567426
(E)-3-(4-bromo-1-ethylpyrazol-5-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 19564748
(E)-3-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19562702
1-(4-bromo-1-ethylpyrazol-5-yl)hexan-3-one
CID 114663551
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethylpyrazole-5-carbaldehyde?
The IUPAC name of 4-bromo-1-ethylpyrazole-5-carbaldehyde (CID 7019417) is 4-bromo-1-ethylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-bromo-1-ethylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-bromo-1-ethylpyrazole-5-carbaldehyde is CCn1ncc(Br)c1C=O.
What is the InChIKey of 4-bromo-1-ethylpyrazole-5-carbaldehyde?
The InChIKey is KDZYNSUALWYJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3.
What are the key properties of 4-bromo-1-ethylpyrazole-5-carbaldehyde?
4-bromo-1-ethylpyrazole-5-carbaldehyde has a molecular weight of 203.04 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethylpyrazole-5-carbaldehyde is sourced from PubChem (CID 7019417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).