| CAS Number | 75876-06-1 |
| Catalog Number | AG019V11 |
| Chemical Name | Methyl[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amine |
| IUPAC Name | N-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propan-1-amine |
| InChI | InChI=1S/C13H17N3/c1-14-9-5-8-12-10-13(16-15-12)11-6-3-2-4-7-11/h2-4,6-7,10,14H,5,8-9H2,1H3,(H,15,16) |
| InChI Key | BWHBNIKYRZEZMQ-UHFFFAOYSA-N |
| MDL Number | MFCD12197013 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.2942 |
| SMILES | CNCCCC1NN=C(C2=CC=CC=C2)C=1 |
| Synonyms | methyl[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amine,
75876-06-1,
AC1Q419S,
CTK6I5616,
ZINC32937538,
AKOS034361294,
MCULE-5908225853,
NE39000,
EN300-43425,
AB01007142-01,
methyl[3-(5-phenyl-1H-pyrazol-3-yl)propyl]amine,
N-Methyl-3-(5-phenyl-1H-pyrazol-3-yl)propan-1-amine,
Z449369074,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.3g/mol |
| Monoisotopic Mass | 215.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number