| CAS Number | 3524-48-9 |
| Catalog Number | AG00IM6M(AGN-PC-0WG3EZ) |
| Chemical Name | 3-Phenyl-1-propyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-phenyl-2-propylpyrazol-3-amine |
| InChI | InChI=1S/C12H15N3/c1-2-8-15-12(13)9-11(14-15)10-6-4-3-5-7-10/h3-7,9H,2,8,13H2,1H3 |
| InChI Key | VSGBZVWLICPRFD-UHFFFAOYSA-N |
| MDL Number | MFCD14609384 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | CCCN1N=C(C=C1N)C1=CC=CC=C1 |
| Synonyms | 3-Phenyl-1-propyl-1H-pyrazol-5-amine,
3524-48-9,
AKOS010516643,
CS-W018551,
CS-13359,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.273g/mol |
| Monoisotopic Mass | 201.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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