Chem 4 Bromo 1 Methylpyrazole Dsrpl | Cheminformatics
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2D Structure

4-Bromo-1-methylpyrazole


  • SKU Code: CH141169
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Chemical Name - 4-Bromo-1-methylpyrazole
Mol Weight - 161.002
Smiles - Cn1ncc(Br)c1
Property Name Property Value
Mol Name4-Bromo-1-methylpyrazole
Molweight161.002
Monoisotopic Mass159.963609
Clogp0.4471
Clogs-1.217
H Acceptors2
Total Surface Area92.11
Relative Psa0.19368
Polar Surface Area17.82
Druglikeness-1.8253
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.71429
Molecular Complexity0.7993
Fragments1
Non H Atoms7
Non Ch Atoms3
Electronegative Atoms3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms1
Aromatic Nitrogens2
SmilesCn1ncc(Br)c1
InChIKeyInChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIIXJSDKIJPVSPKF-UHFFFAOYSA-N

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