3-Amino-5-phenylpyrazole - CAS 1572-10-7
Catalog: |
BB011299 |
Product Name: |
3-Amino-5-phenylpyrazole |
CAS: |
1572-10-7 |
Synonyms: |
5-phenyl-1H-pyrazol-3-amine |
IUPAC Name: | 5-phenyl-1H-pyrazol-3-amine |
Description: | 3-Amino-5-phenylpyrazole (CAS# 1572-10-7) is used in the synthetic preparation of aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. |
Molecular Weight: | 159.19 |
Molecular Formula: | C9H9N3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=NN2)N |
InChI: | InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12) |
InChI Key: | PWSZRRFDVPMZGM-UHFFFAOYSA-N |
Boiling Point: | 442.3 °C at 760 mmHg |
Melting Point: | 118-121 °C |
Purity: | 95 % |
Density: | 1.238 g/cm3 |
Appearance: | Brown solid |
LogP: | 2.24010 |
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-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
CN-111808259-A | 3D printing silicone rubber and preparation method and application thereof | 20200716 |
CN-111808259-B | 3D printing silicone rubber and preparation method and application thereof | 20200716 |
CN-111518103-A | Pyrazolo 1,3,5-triazine compound and preparation method thereof | 20200529 |
US-2021301175-A1 | Polishing composition | 20200330 |
PMID | Publication Date | Title | Journal |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
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 |
19329331 | 20090415 | Botulinum neurotoxin serotype A inhibitors: small-molecule mercaptoacetamide analogs | Bioorganic & medicinal chemistry |
18512991 | 20080704 | Tuning of chemo- and regioselectivities in multicomponent condensations of 5-aminopyrazoles, dimedone, and aldehydes | The Journal of organic chemistry |
17395469 | 20070601 | Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents | Bioorganic & medicinal chemistry |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.079647300 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.079647300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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