3-tert-Butyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine - CAS 778611-16-8
Catalog: |
BB036057 |
Product Name: |
3-tert-Butyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine |
CAS: |
778611-16-8 |
Synonyms: |
5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-amine |
IUPAC Name: | 5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-amine |
Description: | 3-tert-Butyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine (CAS# 778611-16-8) is a useful research chemical. |
Molecular Weight: | 233.28 |
Molecular Formula: | C13H16FN3 |
Canonical SMILES: | CC(C)(C)C1=NN(C(=C1)N)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C13H16FN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3 |
InChI Key: | BYZGQEFEOZXWRO-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 3.47230 |
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 |
EP-2920166-B1 | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 20121113 |
US-10351575-B2 | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 20121113 |
US-2016272592-A1 | N-(arylalkyl)-n'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as trka kinase inhibitors | 20121113 |
US-2016280681-A1 | N-bicyclic aryl,n'-pyrazolyl urea, thiourea, guanidine and cyanoguanidine compounds as trka kinase inhibitors | 20121113 |
US-2016280692-A1 | N-(monocyclic aryl),n'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as trka kinase inhibitors | 20121113 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.13282569 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.13282569 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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