5-Butyl-1-methylpyrazole - CAS 41818-35-3
Catalog: |
BB051619 |
Product Name: |
5-Butyl-1-methylpyrazole |
CAS: |
41818-35-3 |
Synonyms: |
5-butyl-1-methyl-1H-pyrazole |
IUPAC Name: | 5-butyl-1-methylpyrazole |
Molecular Weight: | 138.21 |
Molecular Formula: | C8H14N2 |
Canonical SMILES: | CCCCC1=CC=NN1C |
InChI: | InChI=1S/C8H14N2/c1-3-4-5-8-6-7-9-10(8)2/h6-7H,3-5H2,1-2H3 |
InChI Key: | NZKURQFJNXICPC-UHFFFAOYSA-N |
Complexity: | 93.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.115698455 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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