| CAS Number | 1040724-73-9 |
| Catalog Number | AG01ARBC |
| Chemical Name | 3-(1H-indol-3-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(1H-indol-3-yl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C11H10N4/c12-11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H3,12,14,15) |
| InChI Key | KJDIPMWYSLNOSG-UHFFFAOYSA-N |
| MDL Number | MFCD09743154 |
| Molecular Formula | C11H10N4 |
| Molecular Weight | 198.2239 |
| SMILES | NC1NN=C(C2C3=C(C=CC=C3)NC=2)C=1 |
| Synonyms | 3-(1H-indol-3-yl)-1H-pyrazol-5-amine,
1040724-73-9,
5-(1H-Indol-3-yl)-2H-pyrazol-3-ylamine,
SCHEMBL1855800,
SCHEMBL13953170,
KJDIPMWYSLNOSG-UHFFFAOYSA-N,
BBL031434,
STL317621,
ZINC11735097,
AKOS005207976,
AKOS022771133,
MCULE-2833459227,
3-(1h-indol-3-yl)-1hpyrazol-5-amine,
5-(1H-indol-3-yl)-2H-pyrazol-3-amine,
F2145-0069,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.229g/mol |
| Monoisotopic Mass | 198.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number