| CAS Number | 1178852-34-0 |
| Catalog Number | AG019PT4 |
| Chemical Name | 2-[4-(3,3-dimethylbutanamido)-1H-pyrazol-1-yl]acetic acid |
| IUPAC Name | 2-[4-(3,3-dimethylbutanoylamino)pyrazol-1-yl]acetic acid |
| InChI | InChI=1S/C11H17N3O3/c1-11(2,3)4-9(15)13-8-5-12-14(6-8)7-10(16)17/h5-6H,4,7H2,1-3H3,(H,13,15)(H,16,17) |
| InChI Key | KVBUAVBNICMFJA-UHFFFAOYSA-N |
| MDL Number | MFCD12853423 |
| Molecular Formula | C11H17N3O3 |
| Molecular Weight | 239.2710 |
| SMILES | CC(CC(NC1=CN(CC(O)=O)N=C1)=O)(C)C |
| Synonyms | 2-[4-(3,3-dimethylbutanamido)-1H-pyrazol-1-yl]acetic acid,
1178852-34-0,
ZINC38029633,
AKOS008144231,
MCULE-8074671530,
NE51875,
EN300-86419,
Z1259156019,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.275g/mol |
| Monoisotopic Mass | 239.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number