| CAS Number | 1044837-24-2 |
| Catalog Number | AG01A0RV |
| Chemical Name | 3-(2,5-dimethylphenyl)-1H-pyrazole-5-carbohydrazide |
| IUPAC Name | 3-(2,5-dimethylphenyl)-1H-pyrazole-5-carbohydrazide |
| InChI | InChI=1S/C12H14N4O/c1-7-3-4-8(2)9(5-7)10-6-11(16-15-10)12(17)14-13/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16) |
| InChI Key | YTHQGRVYNBONOR-UHFFFAOYSA-N |
| MDL Number | MFCD07364359 |
| Molecular Formula | C12H14N4O |
| Molecular Weight | 230.2658 |
| SMILES | CC1=CC(C2=NNC(C(NN)=O)=C2)=C(C)C=C1 |
| Synonyms | 3-(2,5-dimethylphenyl)-1H-pyrazole-5-carbohydrazide,
1044837-24-2,
SBB040995,
ZINC36724790,
AKOS000269695,
MCULE-7365782429,
NE13614,
EN300-110850,
3-(2,5-dimethylphenyl)pyrazole-5-carbohydrazide,
5-(2,5-Dimethylphenyl)-2H-pyrazole-3-carboxylic acid hydrazide,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.271g/mol |
| Monoisotopic Mass | 230.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number