3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine - CAS 91331-68-9
Catalog: |
BB040121 |
Product Name: |
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine |
CAS: |
91331-68-9 |
Synonyms: |
5-methyl-2-(2-methylphenyl)pyrazol-3-amine |
IUPAC Name: | 5-methyl-2-(2-methylphenyl)pyrazol-3-amine |
Description: | 3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine (CAS# 91331-68-9) is a useful research chemical. |
Molecular Weight: | 187.24 |
Molecular Formula: | C11H13N3 |
Canonical SMILES: | CC1=CC=CC=C1N2C(=CC(=N2)C)N |
InChI: | InChI=1S/C11H13N3/c1-8-5-3-4-6-10(8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3 |
InChI Key: | KZPZKAVOPDSURE-UHFFFAOYSA-N |
Boiling Point: | 354.1 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
MDL: | MFCD01605712 |
LogP: | 2.65250 |
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-2021101901-A1 | Preparation of pyrazolo[3,4-b]pyridines as antimalarials | 20191004 |
WO-2021067967-A1 | Preparation of pyrazolo[3,4-b]pyridines as antimalarials | 20191004 |
US-2010305326-A1 | Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage | 20090602 |
EP-2348860-B1 | Pyrazolopyrimidine jak inhibitor compounds and methods | 20081031 |
EP-2962566-A1 | Pyrazolopyrimidine jak inhibitor compounds and methods | 20081031 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.110947427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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