| CAS Number | 61514-54-3 |
| Catalog Number | AG01AOOG(AGN-PC-0NIGJO) |
| Chemical Name | 4-Ethynyl-1,5-dimethyl-1H-pyrazole |
| IUPAC Name | 4-ethynyl-1,5-dimethylpyrazole |
| InChI | InChI=1S/C7H8N2/c1-4-7-5-8-9(3)6(7)2/h1,5H,2-3H3 |
| InChI Key | VCFMZJNLWRPYMG-UHFFFAOYSA-N |
| MDL Number | MFCD00481867 |
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.1518 |
| SMILES | CC1=C(C#C)C=NN1C |
| Synonyms | 4-Ethynyl-1,5-dimethyl-1H-pyrazole,
61514-54-3,
1H-Pyrazole, 4-ethynyl-1,5-dimethyl-,
4-ethynyl-1,5-dimethyl-1{H}-pyrazole,
SCHEMBL9906353,
CTK2D8507,
DTXSID80486186,
VCFMZJNLWRPYMG-UHFFFAOYSA-N,
MFCD00481867,
ZINC39204259,
(1,5-dimethyl-4-pyrazolyl)acetylene,
AKOS015921185,
MCULE-3110464290,
4-ethynyl-1,5-dimethylpyrazole,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.155g/mol |
| Monoisotopic Mass | 120.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number