Methyl 3-amino-1-ethyl-1H-pyrazole-4-carboxylate - CAS 1795473-98-1
Catalog: |
BB052409 |
Product Name: |
Methyl 3-amino-1-ethyl-1H-pyrazole-4-carboxylate |
CAS: |
1795473-98-1 |
Synonyms: |
methyl3-amino-1-ethyl-1H-pyrazole-4-carboxylate |
IUPAC Name: | methyl 3-amino-1-ethylpyrazole-4-carboxylate |
Molecular Weight: | 169.18 |
Molecular Formula: | C7H11N3O2 |
Canonical SMILES: | CCN1C=C(C(=N1)N)C(=O)OC |
InChI: | InChI=1S/C7H11N3O2/c1-3-10-4-5(6(8)9-10)7(11)12-2/h4H,3H2,1-2H3,(H2,8,9) |
InChI Key: | XGDMJAFTNKXWDS-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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