4-Bromo-3-methyl-1-phenyl-1H-pyrazol-5-ylamine - CAS 69464-98-8
Catalog: |
BB033840 |
Product Name: |
4-Bromo-3-methyl-1-phenyl-1H-pyrazol-5-ylamine |
CAS: |
69464-98-8 |
Synonyms: |
4-bromo-5-methyl-2-phenylpyrazol-3-amine |
IUPAC Name: | 4-bromo-5-methyl-2-phenylpyrazol-3-amine |
Description: | 4-Bromo-3-methyl-1-phenyl-1H-pyrazol-5-ylamine (CAS# 69464-98-8) is a useful research chemical. |
Molecular Weight: | 252.11 |
Molecular Formula: | C10H10BrN3 |
Canonical SMILES: | CC1=NN(C(=C1Br)N)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H10BrN3/c1-7-9(11)10(12)14(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3 |
InChI Key: | KNUGDEKPCNCMIO-UHFFFAOYSA-N |
Boiling Point: | 369.1 °C at 760 mmHg |
Density: | 1.57 g/cm3 |
MDL: | MFCD04039926 |
LogP: | 3.10660 |
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 |
AU-2013344886-A1 | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 20121113 |
EP-2920166-A1 | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 20121113 |
EP-2920166-B1 | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 20121113 |
JP-2015537001-A | Bicyclic urea, thiourea, guanidine, and cyanoguanidine compounds useful for the treatment of pain | 20121113 |
JP-2018016649-A | Bicyclic urea, thiourea, guanidine, and cyanoguanidine compounds useful for the treatment of pain | 20121113 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.00581 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.00581 |
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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Related Functional Groups
Pyrazoles
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