5-Amino-3-(4-methylphenyl)-1-phenylpyrazole - CAS 90012-40-1
Catalog: |
BB039735 |
Product Name: |
5-Amino-3-(4-methylphenyl)-1-phenylpyrazole |
CAS: |
90012-40-1 |
Synonyms: |
5-(4-methylphenyl)-2-phenylpyrazol-3-amine |
IUPAC Name: | 5-(4-methylphenyl)-2-phenylpyrazol-3-amine |
Description: | 5-Amino-3-(4-methylphenyl)-1-phenylpyrazole (CAS# 90012-40-1) is a useful research chemical. |
Molecular Weight: | 249.31 |
Molecular Formula: | C16H15N3 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3 |
InChI: | InChI=1S/C16H15N3/c1-12-7-9-13(10-8-12)15-11-16(17)19(18-15)14-5-3-2-4-6-14/h2-11H,17H2,1H3 |
InChI Key: | WMJZITXAXMNGCH-UHFFFAOYSA-N |
Boiling Point: | 460.4 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03427106 |
LogP: | 4.01110 |
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 |
US-2011190285-A1 | Methods of treating a botulinum toxin related condition in a subject | 20080919 |
US-2011034521-A1 | Compounds and methods for treating zinc matrix metalloprotease dependent diseases | 20070928 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.126597491 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.126597491 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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