4-Amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide - CAS 139756-02-8
Catalog: |
BB008982 |
Product Name: |
4-Amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide |
CAS: |
139756-02-8 |
Synonyms: |
4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide; 4-Amino-1-methyl-3-N-propyl-1H-pyrazole-5-carboxamide; 1H-Pyrazole-5-carboxamide, 4-amino-1-methyl-3-propyl-; 4-Amino-1-methyl-3-propylpyrazole-5-carboxamide; 4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxamide |
Related CAS: | 247584-10-7 (monohydrochloride)
|
IUPAC Name: | 4-amino-2-methyl-5-propylpyrazole-3-carboxamide |
Molecular Weight: | 182.22 |
Molecular Formula: | C8H14N4O |
Canonical SMILES: | CCCC1=NN(C(=C1N)C(=O)N)C |
InChI: | InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13) |
InChI Key: | PZMXDLWWQHYXGY-UHFFFAOYSA-N |
Boiling Point: | 325.9±42.0°C (Predicted) |
Melting Point: | 98-101°C |
Purity: | >95% |
Density: | 1.32±0.1 g/cm3(Predicted) |
Appearance: | Off-white solid |
MDL: | MFCD02927682 |
LogP: | 1.33520 |
GHS Hazard Statement: | H315 (97.56%): 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 |
CN-113372350-A | Deuterated sildenafil as well as preparation method and application thereof | 20210322 |
CN-112209879-A | Sildenafil impurity and preparation method and application thereof | 20201019 |
CN-111005033-A | Electro-reduction preparation method of sildenafil intermediate | 20191216 |
CN-111005033-B | Electro-reduction preparation method of sildenafil intermediate | 20191216 |
WO-2020249139-A1 | Potassium salt crystal form b of phosphodiesterase type 5 inhibitor, and preparation method and use therefor | 20190612 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.11676108 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.11676108 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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