3-Amino-5-methylpyrazole - CAS 31230-17-8
Catalog: |
BB020838 |
Product Name: |
3-Amino-5-methylpyrazole |
CAS: |
31230-17-8 |
Synonyms: |
5-methyl-1H-pyrazol-3-amine |
IUPAC Name: | 5-methyl-1H-pyrazol-3-amine |
Description: | 3-Amino-5-methylpyrazole (CAS# 31230-17-8) is a compound useful in organic synthesis. |
Molecular Weight: | 97.12 |
Molecular Formula: | C4H7N3 |
Canonical SMILES: | CC1=CC(=NN1)N |
InChI: | InChI=1S/C4H7N3/c1-3-2-4(5)7-6-3/h2H,1H3,(H3,5,6,7) |
InChI Key: | FYTLHYRDGXRYEY-UHFFFAOYSA-N |
Boiling Point: | 213 °C (14 mmHg) |
Density: | 1.221 g/cm3 |
MDL: | MFCD00075180 |
LogP: | 0.88150 |
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 |
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PMID | Publication Date | Title | Journal |
22926535 | 20120801 | Regioselective multi-component synthesis of 1H-pyrazolo[3,4-d]pyrimidine-6(7H)-thiones | Molecular diversity |
20515044 | 20100712 | Efficient one-pot synthesis of novel spirooxindole derivatives via three-component reaction in aqueous medium | Journal of combinatorial chemistry |
19720550 | 20100201 | A convenient ultrasound-promoted regioselective synthesis of fused polycyclic 4-aryl-3-methyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridines | Ultrasonics sonochemistry |
20048419 | 20100101 | A simple hydrogen-bonded chain in (3Z)-3-{1-[(5-phenyl-1H-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3H)-one, and a hydrogen-bonded ribbon of centrosymmetric rings in the self-assembled adduct (3Z)-3-{1-[(5-methyl-1H-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3H)-one-6-(2-hydroxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one (1/1) | Acta crystallographica. Section C, Crystal structure communications |
17188868 | 20070301 | Structural simplification of bioactive natural products with multicomponent synthesis: dihydropyridopyrazole analogues of podophyllotoxin | Bioorganic & medicinal chemistry letters |
Complexity: | 64 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.063997236 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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