3-(3-Chlorophenyl)-1H-pyrazol-5-amine - CAS 208519-09-9
Catalog: |
BB016351 |
Product Name: |
3-(3-Chlorophenyl)-1H-pyrazol-5-amine |
CAS: |
208519-09-9 |
Synonyms: |
5-(3-chlorophenyl)-1H-pyrazol-3-amine; 5-(3-chlorophenyl)-1H-pyrazol-3-amine |
IUPAC Name: | 5-(3-chlorophenyl)-1H-pyrazol-3-amine |
Description: | 3-(3-Chlorophenyl)-1H-pyrazol-5-amine (CAS# 208519-09-9) is a useful research chemical. |
Molecular Weight: | 193.63 |
Molecular Formula: | C9H8ClN3 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C2=CC(=NN2)N |
InChI: | InChI=1S/C9H8ClN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13) |
InChI Key: | HLKDVENNWRMMOS-UHFFFAOYSA-N |
Boiling Point: | 469.1 °C at 760 mmHg |
Melting Point: | 138-140 °C |
Purity: | 96 % |
Density: | 1.378 g/cm3 |
MDL: | MFCD02664265 |
LogP: | 2.89350 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, 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 |
Publication Number | Title | Priority Date |
CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
WO-2015050148-A1 | 3-arylpyrazolopyridine derivative | 20131004 |
EP-2614064-A1 | Inhibitors of human immunodeficiency virus replication | 20100908 |
EP-2614064-B1 | Inhibitors of human immunodeficiency virus replication | 20100908 |
EP-2614064-B8 | Inhibitors of human immunodeficiency virus replication | 20100908 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0406750 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0406750 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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