| CAS Number | 1015845-54-1 |
| Catalog Number | AG0004UA(AGN-PC-0WB3BM) |
| Chemical Name | 1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine |
| IUPAC Name | [1-(3-methoxyphenyl)pyrazol-4-yl]methanamine |
| InChI | InChI=1S/C11H13N3O/c1-15-11-4-2-3-10(5-11)14-8-9(6-12)7-13-14/h2-5,7-8H,6,12H2,1H3 |
| InChI Key | KQJJFDIEMLIASM-UHFFFAOYSA-N |
| MDL Number | MFCD08059756 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | N1(C2=CC=CC(OC)=C2)C=C(C=N1)CN |
| Synonyms | 1015845-54-1,
1-[1-(3-METHOXYPHENYL)-1H-PYRAZOL-4-YL]METHANAMINE,
(1-(3-methoxyphenyl)-1H-pyrazol-4-yl)methanamine,
CTK3J9924,
DTXSID60650808,
CHEMBRDG-BB 4003937,
ZX-CM002626,
MFCD08059756,
ZINC19088473,
AKOS006340586,
AJ-70985,
AM20020085,
Y-3352,
1H-Pyrazole-4-methanamine, 1-(3-methoxyphenyl)-,
4003937-25G,
4003937-50G,
4003937-100G,
1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine, AldrichCPR,
[1-(3-methoxyphenyl)pyrazol-4-yl]methanamine,
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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 | 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 | 0.7 |
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Certificate of Analysis
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