| CAS Number | 1004417-78-0 |
| Catalog Number | AG019JQK |
| Chemical Name | 1-([1-(Propan-2-yl)-1h-pyrazol-5-yl]imino)-1h-isoindol-3-amine |
| IUPAC Name | 3-(2-propan-2-ylpyrazol-3-yl)iminoisoindol-1-amine |
| InChI | InChI=1S/C14H15N5/c1-9(2)19-12(7-8-16-19)17-14-11-6-4-3-5-10(11)13(15)18-14/h3-9H,1-2H3,(H2,15,17,18) |
| InChI Key | ZKTXPQQBUQOAGW-UHFFFAOYSA-N |
| MDL Number | MFCD07308551 |
| Molecular Formula | C14H15N5 |
| Molecular Weight | 253.3024 |
| SMILES | CC(N1C(N=C2C3=C(C=CC=C3)C(N)=N2)=CC=N1)C |
| Synonyms | 1-{[1-(propan-2-yl)-1H-pyrazol-5-yl]imino}-1H-isoindol-3-amine,
1004417-78-0,
AC1M8HU5,
CTK6A9818,
ZINC3394993,
3-(2-propan-2-ylpyrazol-3-yl)iminoisoindol-1-amine,
Z56347176,
ZINC03394989,
CID2513496,
(1E)-1-[(1-isopropyl-1H-pyrazol-5-yl)imino]-1H-isoindol-3-amine,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.309g/mol |
| Monoisotopic Mass | 253.133g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number