5-Ethynyl-1-(propan-2-yl)-1H-pyrazole - CAS 1690560-11-2
Catalog: |
BB050749 |
Product Name: |
5-Ethynyl-1-(propan-2-yl)-1H-pyrazole |
CAS: |
1690560-11-2 |
Synonyms: |
5-ethynyl-1-isopropyl-1H-pyrazole; 1H-Pyrazole, 5-ethynyl-1-(1-methylethyl)- |
IUPAC Name: | 5-ethynyl-1-propan-2-ylpyrazole |
Molecular Weight: | 134.18 |
Molecular Formula: | C8H10N2 |
Canonical SMILES: | CC(C)N1C(=CC=N1)C#C |
InChI: | InChI=1S/C8H10N2/c1-4-8-5-6-9-10(8)7(2)3/h1,5-7H,2-3H3 |
InChI Key: | WRMHUSXWNYQEMX-UHFFFAOYSA-N |
Boiling Point: | 202.7±13.0°C at 760 mmHg |
Purity: | ≥95% by HPLC |
Density: | 0.9±0.1 g/cm3 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.084398327 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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