| CAS Number | 1152653-28-5 |
| Catalog Number | AG01A84P |
| Chemical Name | 3-(furan-3-yl)-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-(furan-3-yl)-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C13H11N3O/c14-13-8-12(10-6-7-17-9-10)15-16(13)11-4-2-1-3-5-11/h1-9H,14H2 |
| InChI Key | PZGJQUITYVFWDE-UHFFFAOYSA-N |
| MDL Number | MFCD11209757 |
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.2459 |
| SMILES | NC1N(C2=CC=CC=C2)N=C(C2=COC=C2)C=1 |
| Synonyms | 3-(furan-3-yl)-1-phenyl-1H-pyrazol-5-amine,
1152653-28-5,
AC1Q51J0,
CTK7D5908,
ZINC36938436,
AKOS008124531,
NE29637,
EN300-60724,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.251g/mol |
| Monoisotopic Mass | 225.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number