| CAS Number | 1228552-85-9 |
| Catalog Number | AG000JMH(AGN-PC-0WC73U) |
| Chemical Name | 1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-, ethyl ester |
| IUPAC Name | ethyl 4-amino-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C7H11N3O2/c1-3-12-7(11)6-5(8)4-10(2)9-6/h4H,3,8H2,1-2H3 |
| InChI Key | CTLKSFPCZVBSFK-UHFFFAOYSA-N |
| MDL Number | MFCD16618430 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | O=C(C1=NN(C)C=C1N)OCC |
| Synonyms | 1228552-85-9,
ethyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate,
Ethyl 4-amino-1-methyl-pyrazole-3-carboxylate,
ethyl 4-?amino-?1-?methyl-?pyrazole-?3-?carboxylate,
ethyl 4-amino-1-methylpyrazole-3-carboxylate,
SCHEMBL18362240,
MFCD16618430,
SBB073649,
STL415026,
ZINC60040509,
AKOS005174448,
MCULE-6332080046,
KS-0000086F,
AS-53573,
BB 0262705,
CS-0049480,
ST45256142,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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