| CAS Number | 1003011-46-8 |
| Catalog Number | AG01AFOC(AGN-PC-0WO9GG) |
| Chemical Name | 1-[(4-Methoxyphenyl)methyl]-1H-pyrazol-3-amine |
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]pyrazol-3-amine |
| InChI | InChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)8-14-7-6-11(12)13-14/h2-7H,8H2,1H3,(H2,12,13) |
| InChI Key | RZXDPVYHYSEUIZ-UHFFFAOYSA-N |
| MDL Number | MFCD12149387 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | COC1=CC=C(CN2N=C(C=C2)N)C=C1 |
| Synonyms | 1-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-amine,
1003011-46-8,
[1-(4-Methoxybenzyl)-1H-pyrazol-3-yl]amine,
SCHEMBL166508,
RZXDPVYHYSEUIZ-UHFFFAOYSA-N,
ZINC37418704,
AKOS009998075,
NE15423,
1-(4-methoxybenzyl)-1H-pyrazol-3-amine,
DA-16538,
1-(4-methoxy-benzyl)-1H-pyrazol-3-ylamine,
FT-0705114,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number