| CAS Number | 878465-47-5 |
| Catalog Number | AG019M4B |
| Chemical Name | 1-Phenyl-3-[2-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-ylidene]urea |
| IUPAC Name | 1-phenyl-3-(2-propan-2-ylpyrazol-3-yl)urea |
| InChI | InChI=1S/C13H16N4O/c1-10(2)17-12(8-9-14-17)16-13(18)15-11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,15,16,18) |
| InChI Key | IUPDIFIBOIPXEL-UHFFFAOYSA-N |
| MDL Number | MFCD08245257 |
| Molecular Formula | C13H16N4O |
| Molecular Weight | 244.2923 |
| SMILES | O=C(Nc1ccnn1C(C)C)Nc1ccccc1 |
| Synonyms | 1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea,
N-(1-isopropyl-1H-pyrazol-5-yl)-N'-phenylurea,
878465-47-5,
1955564-45-0,
1-phenyl-3-[2-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-ylidene]urea,
MLS001174119,
AC1Q1Q45,
CHEMBL1503054,
CTK7G8141,
HMS2897H21,
ZINC8231180,
AKOS001224142,
NE27101,
SMR000594858,
EN300-24248,
Z44583437,
N-(1-Isopropyl-1H-pyrazol-5-yl)-N'-phenylurea, AldrichCPR,
ZINC08231180,
CID9361722,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.298g/mol |
| Monoisotopic Mass | 244.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number