5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde

C15H17BrN2O2 — CID 115961904

IUPAC5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde
SMILESCCc1cc(COc2c(C)cc(Br)cc2C=O)n(C)n1
InChIInChI=1S/C15H17BrN2O2/c1-4-13-7-14(18(3)17-13)9-20-15-10(2)5-12(16)6-11(15)8-19/h5-8H,4,9H2,1-3H3
InChIKeyWCVFDCVNALUWRB-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.44
Rot. Bonds5

About 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde

5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde (PubChem CID 115961904) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde
PubChem CID115961904
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde
SMILESCCc1cc(COc2c(C)cc(Br)cc2C=O)n(C)n1
InChIInChI=1S/C15H17BrN2O2/c1-4-13-7-14(18(3)17-13)9-20-15-10(2)5-12(16)6-11(15)8-19/h5-8H,4,9H2,1-3H3
InChIKeyWCVFDCVNALUWRB-UHFFFAOYSA-N
XLogP3.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylphenyl]ethanamine
CID 115962732
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
5-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methylbenzaldehyde
CID 115961927
5-bromo-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
CID 112620556
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
CID 112613264
[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
CID 115962171
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
CID 115961884
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
CID 115961843
5-bromo-2-[(E)-but-2-enoxy]-3-methylbenzaldehyde
CID 112620685
5-bromo-2-(3-hydroxypropoxy)-3-methylbenzaldehyde
CID 112620620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde (CID 115961904) is 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde is CCc1cc(COc2c(C)cc(Br)cc2C=O)n(C)n1.
What is the InChIKey of 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde?
The InChIKey is WCVFDCVNALUWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-4-13-7-14(18(3)17-13)9-20-15-10(2)5-12(16)6-11(15)8-19/h5-8H,4,9H2,1-3H3.
What are the key properties of 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde?
5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde has a molecular weight of 337.22 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 115961904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).