| CAS Number | 956986-52-0 |
| Catalog Number | AG00IJCV(AGN-PC-0WOR2H) |
| Chemical Name | 1-[(4-bromophenyl)methyl]-1H-pyrazol-5-amine |
| IUPAC Name | 2-[(4-bromophenyl)methyl]pyrazol-3-amine |
| InChI | InChI=1S/C10H10BrN3/c11-9-3-1-8(2-4-9)7-14-10(12)5-6-13-14/h1-6H,7,12H2 |
| InChI Key | VBGXXWGGAZDXFZ-UHFFFAOYSA-N |
| MDL Number | MFCD03596771 |
| Molecular Formula | C10H10BrN3 |
| Molecular Weight | 252.1105 |
| SMILES | BrC1=CC=C(CN2N=CC=C2N)C=C1 |
| Synonyms | 1-(4-bromobenzyl)-1H-pyrazol-5-amine,
956986-52-0,
1-[(4-bromophenyl)methyl]-1H-pyrazol-5-amine,
AC1NLR15,
AC1Q52C6,
CTK5I7424,
VBGXXWGGAZDXFZ-UHFFFAOYSA-N,
ZINC4207124,
MFCD03596771,
AKOS000263744,
KS-6863,
MCULE-1980890497,
NE12519,
2-[(4-bromophenyl)methyl]pyrazol-3-amine,
2H-Pyrazole, 3-amino-2-(4-bromobenzyl)-,
EN300-13886,
SR-01000072248,
SR-01000072248-1,
ZINC04207124,
CID4962710,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.115g/mol |
| Monoisotopic Mass | 251.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number