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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

Name: 3-tert-Butyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

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[1427357-61-6]C6H4FN3
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[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[132182-92-4]C7H3F13O
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]C10H8N2O2
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[452-76-6]C7H6F2
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[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

Pyrazoles

[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine

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