3-(Aminomethyl)-5-(trifluoromethyl)pyrazole - CAS 1254717-53-7

Catalog:	BB006126
Product Name:	3-(Aminomethyl)-5-(trifluoromethyl)pyrazole
CAS:	1254717-53-7
Synonyms:	[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine; [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine

Technical Data

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Computed Properties

IUPAC Name:	[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
Description:	3-(Aminomethyl)-5-(trifluoromethyl)pyrazole (CAS# 1254717-53-7) is a useful research chemical.
Molecular Weight:	165.12
Molecular Formula:	C5H6F3N3
Canonical SMILES:	C1=C(NN=C1C(F)(F)F)CN
InChI:	InChI=1S/C5H6F3N3/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2,(H,10,11)
InChI Key:	LLYMWMOKKONGOI-UHFFFAOYSA-N
LogP:	1.58750

Publication Number	Title	Priority Date
EP-2776401-A1	Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an so2-containing group as vanilloid receptor ligands	20111109
WO-2013068461-A1	Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an o-containing group as vanilloid receptor ligands	20111109
WO-2013068464-A1	Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an so2-containing group as vanilloid receptor ligands	20111109
EP-2638015-A1	Substituted bicyclic carboxamide and urea derivatives as vanilloid receptor ligands	20101110
EP-2638034-A1	Substituted heteroaromatic carboxamide and urea derivatives as vanilloid receptor ligands	20101110

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Related Functional Groups

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Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.05138169
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.05138169
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0