| CAS Number | 1508382-29-3 |
| Catalog Number | AG01DTNF |
| Chemical Name | 4-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 4-chloro-2-methyl-5-propan-2-ylpyrazol-3-amine |
| InChI | InChI=1S/C7H12ClN3/c1-4(2)6-5(8)7(9)11(3)10-6/h4H,9H2,1-3H3 |
| InChI Key | UBZTWAUKJHCAQP-UHFFFAOYSA-N |
| MDL Number | MFCD23881256 |
| Molecular Formula | C7H12ClN3 |
| Molecular Weight | 173.6433 |
| SMILES | CC(C)c1nn(C)c(N)c1Cl |
| Synonyms | 4-Chloro-3-isopropyl-1-methyl-1H-pyrazol-5-amine,
1508382-29-3,
AKOS018927604,
4-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazol-5-amine,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.644g/mol |
| Monoisotopic Mass | 173.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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