| CAS Number | 1803077-18-0 |
| Catalog Number | AG01DTRU |
| Chemical Name | 5-cyclopropyl-1-(4-methoxybenzyl)-1H-pyrazol-3-amine |
| IUPAC Name | 5-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine |
| InChI | InChI=1S/C14H17N3O/c1-18-12-6-2-10(3-7-12)9-17-13(11-4-5-11)8-14(15)16-17/h2-3,6-8,11H,4-5,9H2,1H3,(H2,15,16) |
| InChI Key | SFBSGJBWTSBZDK-UHFFFAOYSA-N |
| MDL Number | MFCD30490710 |
| Molecular Formula | C14H17N3O |
| Molecular Weight | 243.3043 |
| SMILES | COC1=CC=C(CN2N=C(N)C=C2C2CC2)C=C1 |
| Synonyms | 5-cyclopropyl-1-(4-methoxybenzyl)-1H-pyrazol-3-amine,
1803077-18-0,
SCHEMBL16992786,
MFCD30490710,
AKOS030629896,
ZINC584907027,
CS-W018386,
AS-48626,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.31g/mol |
| Monoisotopic Mass | 243.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number