5-Amino-3-methyl-1-phenylpyrazole - CAS 1131-18-6
Catalog: |
BB003105 |
Product Name: |
5-Amino-3-methyl-1-phenylpyrazole |
CAS: |
1131-18-6 |
Synonyms: |
5-methyl-2-phenylpyrazol-3-amine |
IUPAC Name: | 5-methyl-2-phenylpyrazol-3-amine |
Description: | 5-Amino-3-methyl-1-phenylpyrazole (CAS# 1131-18-6) is a useful research chemical. |
Molecular Weight: | 173.21 |
Molecular Formula: | C10H11N3 |
Canonical SMILES: | CC1=NN(C(=C1)N)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3 |
InChI Key: | FMKMKBLHMONXJM-UHFFFAOYSA-N |
Boiling Point: | 333 °C at 760 mmHg |
Density: | 1.17 g/cm3 |
Appearance: | Crystalline powder |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00020727 |
LogP: | 2.34410 |
GHS Hazard Statement: | H302 (21.43%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22199690 | 20111201 | 4-(4-Bromo-phen-yl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo-[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide | Acta crystallographica. Section E, Structure reports online |
22059005 | 20110901 | 5-(4-Chloro-phen-yl)-1-methyl-3-phenyl-3,6,8,9-tetra-hydro-pyrazolo-[3,4-b]thio-pyrano[4,3-d]pyridine | Acta crystallographica. Section E, Structure reports online |
20443618 | 20100712 | One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives | Journal of combinatorial chemistry |
21588287 | 20100710 | 3,4,6-Trimethyl-1-phenyl-1H-pyrazolo-[3,4-b]pyridine | Acta crystallographica. Section E, Structure reports online |
19521790 | 20100201 | Ionic liquid-promoted multi-component reaction: novel and efficient preparation of pyrazolo[3,4-b]pyridinone, pyrazolo[3,4-b]-quinolinone and their hybrids with pyrimidine nucleoside | Molecular diversity |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Amines and Anilines
Pyrazoles
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