3-(Aminomethyl)pyrazole - CAS 37599-58-9
Catalog: |
BB023356 |
Product Name: |
3-(Aminomethyl)pyrazole |
CAS: |
37599-58-9 |
Synonyms: |
1H-pyrazol-5-ylmethanamine; 1H-pyrazol-5-ylmethanamine |
IUPAC Name: | 1H-pyrazol-5-ylmethanamine |
Description: | 3-(Aminomethyl)pyrazole was used in preparation of pyridinyl- and sulfonylphenyl-substituted ureas as inhibitors of nicotinamide phosphoribosyltransferase. |
Molecular Weight: | 97.12 |
Molecular Formula: | C4H7N3 |
Canonical SMILES: | C1=C(NN=C1)CN |
InChI: | InChI=1S/C4H7N3/c5-3-4-1-2-6-7-4/h1-2H,3,5H2,(H,6,7) |
InChI Key: | IYSPNYLFKSTATA-UHFFFAOYSA-N |
Boiling Point: | 284.8 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.199 g/cm3 |
MDL: | MFCD03422532 |
LogP: | 0.56870 |
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-113046734-A | Bivalent palladium complex solution and preparation method and application thereof | 20210312 |
US-11091447-B2 | UBE2K modulators and methods for their use | 20200103 |
US-2021214320-A1 | Ube2k modulators and methods for their use | 20200103 |
WO-2021138540-A1 | Polycyclic amides as ube2k modulators for treating cancer | 20200103 |
WO-2021117443-A1 | Method for electrochemically measuring glycosylated hemoglobin, measurement kit used in said method, and hemolytic agent | 20191212 |
Complexity: | 54.9 |
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: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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