1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-ylamine - CAS 40401-39-6
Catalog: |
BB024490 |
Product Name: |
1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-ylamine |
CAS: |
40401-39-6 |
Synonyms: |
2-(4-chlorophenyl)-5-methylpyrazol-3-amine |
IUPAC Name: | 2-(4-chlorophenyl)-5-methylpyrazol-3-amine |
Description: | 1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-ylamine (CAS# 40401-39-6 ) is a useful research chemical. |
Molecular Weight: | 207.66 |
Molecular Formula: | C10H10ClN3 |
Canonical SMILES: | CC1=NN(C(=C1)N)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C10H10ClN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3 |
InChI Key: | CLORQKXFDBKDCZ-UHFFFAOYSA-N |
Boiling Point: | 358.5 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD03478180 |
LogP: | 2.99750 |
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-10272074-B2 | Inhibitors of glucocorticoid receptor translocation | 20150129 |
US-2018207140-A1 | Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation | 20150129 |
EP-2348860-B1 | Pyrazolopyrimidine jak inhibitor compounds and methods | 20081031 |
EP-2962566-A1 | Pyrazolopyrimidine jak inhibitor compounds and methods | 20081031 |
US-2014107099-A1 | Pyrazolopyrimidine jak inhibitor compounds and methods | 20081031 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0563250 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0563250 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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