| CAS Number | 91918-13-7 |
| Catalog Number | AG01AOK1(AGN-PC-00MLY3) |
| Chemical Name | N,N-Dimethyl-1H-pyrazole-4-carboxamide |
| IUPAC Name | N,N-dimethyl-1H-pyrazole-4-carboxamide |
| InChI | InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8) |
| InChI Key | XHOFWFVNVHZGMB-UHFFFAOYSA-N |
| MDL Number | MFCD12142907 |
| Molecular Formula | C6H9N3O |
| Molecular Weight | 139.1552 |
| SMILES | CN(C(C1=CNN=C1)=O)C |
| Synonyms | N,N-dimethyl-1H-pyrazole-4-carboxamide,
91918-13-7,
SCHEMBL1224893,
STL415494,
ZINC36165919,
AKOS009606544,
MCULE-2602898177,
F8883-7167,
Z461898648,
1H-Pyrazole-4-carboxamide, N,N-dimethyl-,
1H-Pyrazole-4-carboxamide, N,N-dimethyl- (9CI),
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.074562g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.16g/mol |
| Monoisotopic Mass | 139.074562g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number