| CAS Number | 903895-80-7 |
| Catalog Number | AG00IG4L |
| Chemical Name | 4-Amino-5-isopropyl-1-methyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one |
| IUPAC Name | 4-amino-1-methyl-2-phenyl-5-propan-2-ylpyrazol-3-one |
| InChI | InChI=1S/C13H17N3O/c1-9(2)12-11(14)13(17)16(15(12)3)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3 |
| InChI Key | KFIPHSKGODIRPV-UHFFFAOYSA-N |
| MDL Number | MFCD09403626 |
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.2936 |
| SMILES | CC(C1N(C)N(C2=CC=CC=C2)C(=O)C=1N)C |
| Synonyms | 903895-80-7,
4-amino-5-isopropyl-1-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one,
4-amino-1-methyl-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one,
AC1Q1OC4,
SCHEMBL3063117,
CTK6A4503,
MFCD09403626,
ZINC12505760,
AKOS009139176,
MCULE-7552902511,
NE60131,
AJ-62558,
EN300-28558,
Z235348079,
ACN-025848,
4-Amino-3-isopropyl-2-methyl-1-phenyl-1,2-dihydropyrazol-5-one,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.299g/mol |
| Monoisotopic Mass | 231.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number