1,1''-Dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole - CAS 1159918-64-5
Catalog: |
BB048625 |
Product Name: |
1,1''-Dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole |
CAS: |
1159918-64-5 |
Synonyms: |
1-methyl-4-[3-(1-methylpyrazol-4-yl)pyrazol-5-yl]pyrazole; 1-methyl-4-[5-(1-methylpyrazol-4-yl)pyrazol-3-yl]pyrazole; 1'-methyl-5-(1-methyl-1H-pyrazol-4-yl)-1'H,2H-3,4'-bipyrazole; 3,5-bis(1-methyl-1H-pyrazol-4-yl)-1H-pyrazole |
IUPAC Name: | 3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole |
Description: | 1,1''-Dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole (CAS# 1159918-64-5 ) is a useful research chemical. |
Molecular Weight: | 228.25 |
Molecular Formula: | C11H12N6 |
Canonical SMILES: | CN1C=C(C=N1)C2=CC(=NN2)C3=CN(N=C3)C |
InChI: | InChI=1S/C11H12N6/c1-16-6-8(4-12-16)10-3-11(15-14-10)9-5-13-17(2)7-9/h3-7H,1-2H3,(H,14,15) |
InChI Key: | BGWTZWALCVGDDN-UHFFFAOYSA-N |
Boiling Point: | 529.9±50.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.11234441 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.11234441 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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