| CAS Number | 1309887-73-7 |
| Catalog Number | AG00HSB3(AGN-PC-0WO0GW) |
| Chemical Name | 4-(3-bromophenyl)-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C10H10BrN3/c1-6-9(10(12)14-13-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H3,12,13,14) |
| InChI Key | ZKGMEKBNNPAEPX-UHFFFAOYSA-N |
| MDL Number | MFCD12138992 |
| Molecular Formula | C10H10BrN3 |
| Molecular Weight | 252.1105 |
| SMILES | CC1C(C2=CC(Br)=CC=C2)=C(N)NN=1 |
| Synonyms | 4-(3-bromophenyl)-3-methyl-1H-pyrazol-5-amine,
1309887-73-7,
4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-amine,
ZINC37504468,
AKOS009590873,
AKOS022316431,
MCULE-7105794193,
NE43735,
Y2624,
EN300-75549,
Z1255523429,
C10H10BrN3,
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| Complexity | 200 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.115g/mol |
| Monoisotopic Mass | 251.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number