| CAS Number | 1006470-77-4 |
| Catalog Number | AG01DHAU |
| Chemical Name | 4-chloro-1-ethyl-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 4-chloro-2-ethyl-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C6H10ClN3/c1-3-10-6(8)5(7)4(2)9-10/h3,8H2,1-2H3 |
| InChI Key | KQPXKIYRXNEUPQ-UHFFFAOYSA-N |
| MDL Number | MFCD06805202 |
| Molecular Formula | C6H10ClN3 |
| Molecular Weight | 159.6167 |
| SMILES | CCn1nc(c(c1N)Cl)C |
| Synonyms | 4-CHLORO-1-ETHYL-3-METHYL-1H-PYRAZOL-5-AMINE,
1006470-77-4,
SCHEMBL16200210,
CTK6F0810,
AKOS000308972,
1H-Pyrazol-5-amine, 4-chloro-1-ethyl-3-methyl-,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.617g/mol |
| Monoisotopic Mass | 159.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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