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3-tert-Butyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine

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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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

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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

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