| CAS Number | 1152867-10-1 |
| Catalog Number | AG000GJC(AGN-PC-05CP6B) |
| Chemical Name | 1-[(4-Methoxyphenyl)methyl]-1H-pyrazol-4-amine |
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]pyrazol-4-amine |
| InChI | InChI=1S/C11H13N3O/c1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14/h2-6,8H,7,12H2,1H3 |
| InChI Key | FDECMPHXYDYHEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11128222 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | COC1=CC=C(CN2N=CC(N)=C2)C=C1 |
| Synonyms | 1-(4-methoxybenzyl)-1H-pyrazol-4-amine,
1152867-10-1,
1-[(4-Methoxyphenyl)methyl]-1H-pyrazol-4-amine,
1H-Pyrazol-4-amine, 1-[(4-methoxyphenyl)methyl]-,
SCHEMBL165409,
FDECMPHXYDYHEZ-UHFFFAOYSA-N,
ZINC19810601,
AKOS000205052,
DA-15224,
1-(4-Methoxy-benzyl)-1H-pyrazol-4-ylamine,
FT-0739362,
EN300-205908,
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| 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 | 1.1 |
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Certificate of Analysis
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