Ethyl 3-Amino-5-methylpyrazole-4-carboxylate - CAS 23286-70-6
Catalog: |
BB017998 |
Product Name: |
Ethyl 3-Amino-5-methylpyrazole-4-carboxylate |
CAS: |
23286-70-6 |
Synonyms: |
3-amino-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester; ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate |
IUPAC Name: | ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate |
Description: | Ethyl 3-Amino-5-methylpyrazole-4-carboxylate (CAS# 23286-70-6) is a useful research chemical for organic synthesis. It is used as an intermediate in the synthesis of Pyrazolo[1,5-a]pyrimidines analogs of carboxin as systemic fungicides. |
Molecular Weight: | 169.18 |
Molecular Formula: | C7H11N3O2 |
Canonical SMILES: | CCOC(=O)C1=C(NN=C1N)C |
InChI: | InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10) |
InChI Key: | WOCMIZZYXHVSPS-UHFFFAOYSA-N |
Boiling Point: | 356.6 °C at 760 mmHg |
Density: | 1.265 g/cm3 |
MDL: | MFCD01210846 |
LogP: | 1.05820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021052586-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
WO-2021035196-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
WO-2021032992-A1 | Pharmaceutical compounds | 20190820 |
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CN-112204029-A | Therapeutic compounds | 20180531 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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