| CAS Number | 187795-44-4 |
| Catalog Number | AG019EOZ(AGN-PC-06HCC2) |
| Chemical Name | 3-Cyclobutyl-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-cyclobutyl-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C13H15N3/c14-13-9-12(10-5-4-6-10)15-16(13)11-7-2-1-3-8-11/h1-3,7-10H,4-6,14H2 |
| InChI Key | FFTUPFXYVRUGKW-UHFFFAOYSA-N |
| MDL Number | MFCD11105318 |
| Molecular Formula | C13H15N3 |
| Molecular Weight | 213.2783 |
| SMILES | NC1N(C2=CC=CC=C2)N=C(C2CCC2)C=1 |
| Synonyms | 3-Cyclobutyl-1-phenyl-1H-pyrazol-5-amine,
187795-44-4,
5-cyclobutyl-2-phenylpyrazol-3-amine,
SCHEMBL1013974,
FFTUPFXYVRUGKW-UHFFFAOYSA-N,
ZINC34976194,
AKOS009336073,
MCULE-2630026081,
NE26992,
CS-0036115,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.284g/mol |
| Monoisotopic Mass | 213.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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