3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole

C10H12BrN3O — CID 164719434

IUPAC3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole
SMILESCCc1cc(Cc2cn(C)nc2Br)no1
InChIInChI=1S/C10H12BrN3O/c1-3-9-5-8(13-15-9)4-7-6-14(2)12-10(7)11/h5-6H,3-4H2,1-2H3
InChIKeyKVHKCYKVBJGUCP-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.32
Rot. Bonds3

About 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole

3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole (PubChem CID 164719434) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole
PubChem CID164719434
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole
SMILESCCc1cc(Cc2cn(C)nc2Br)no1
InChIInChI=1S/C10H12BrN3O/c1-3-9-5-8(13-15-9)4-7-6-14(2)12-10(7)11/h5-6H,3-4H2,1-2H3
InChIKeyKVHKCYKVBJGUCP-UHFFFAOYSA-N
XLogP2.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259
(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
CID 164719599
(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride
CID 70789245
2-(3-bromo-1-methylpyrazol-4-yl)ethanol
CID 84672843
3-bromo-4-fluoro-1-methylpyrazole
CID 131506344
2-(3-bromo-1-methylpyrazol-4-yl)acetonitrile
CID 167727780
3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-1,2-oxazole
CID 170408881
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(ethoxymethyl)imidazo[1,2-a]pyrazine
CID 170973337
3-bromo-1-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole
CID 169193022
3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole
CID 130445855
[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanamine
CID 112671322
3-bromo-1-methyl-4-[[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methyl]pyrazole
CID 164719156

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole?
The IUPAC name of 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole (CID 164719434) is 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole.
What is the SMILES notation for 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole?
The canonical SMILES for 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole is CCc1cc(Cc2cn(C)nc2Br)no1.
What is the InChIKey of 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole?
The InChIKey is KVHKCYKVBJGUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-3-9-5-8(13-15-9)4-7-6-14(2)12-10(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole?
3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole has a molecular weight of 270.13 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-1-methylpyrazol-4-yl)methyl]-5-ethyl-1,2-oxazole is sourced from PubChem (CID 164719434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).