3-Amino-4-pyrazolecarboxylic acid - CAS 41680-34-6
Catalog: |
BB024932 |
Product Name: |
3-Amino-4-pyrazolecarboxylic acid |
CAS: |
41680-34-6 |
Synonyms: |
1H-Pyrazole-4-carboxylic acid, 3-amino-; 3-Amino-1H-pyrazole-4-carboxylic acid; 3-Amino-4-carboxypyrazole; 3-Aminopyrazole-4-carboxylic acid; NSC 89246 |
Related CAS: | 24447-68-5 (Deleted CAS) 345633-54-7 (Deleted CAS) 439109-79-2 (Deleted CAS) 1858181-41-5 (Deleted CAS)
|
IUPAC Name: | 5-amino-1H-pyrazole-4-carboxylic acid |
Molecular Weight: | 127.10 |
Molecular Formula: | C4H5N3O2 |
Canonical SMILES: | C1=NNC(=C1C(=O)O)N |
InChI: | InChI=1S/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7) |
InChI Key: | KMRVTZLKQPFHFS-UHFFFAOYSA-N |
Boiling Point: | 502.7±35.0°C at 760 mmHg |
Melting Point: | 135°C (dec.) |
Purity: | 95% |
Density: | 1.677±0.06 g/cm3 |
Appearance: | Almost white to beige crystalline powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00005239 |
LogP: | 0.27130 |
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 |
CN-110066282-B | Pyrazolopyrimidinone compound and preparation method and application thereof | 20190610 |
WO-2020219729-A1 | Papd5 inhibitors and methods of use thereof | 20190424 |
CN-109503486-A | A kind of heterocycle azo benzene/graphene solar energy heat-storage material and preparation method | 20170915 |
CN-109336829-A | Aryl methanamide compounds of the triazole structure containing 1,2,3- and application thereof | 20170823 |
CA-3059939-A1 | Indole ahr inhibitors and uses thereof | 20170421 |
PMID | Publication Date | Title | Journal |
17473461 | 20070501 | The synthesis, structure and properties of N-acetylated derivatives of ethyl 3-amino-1H-pyrazole-4-carboxylate | Chemical & pharmaceutical bulletin |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.038176411 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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