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3-(tert-Butyl)-1-(3-pyridyl)pyrazole-5-amine

3-(tert-Butyl)-1-(3-pyridyl)pyrazole-5-amine - CAS 876299-97-7

Catalog:	BB038556
Product Name:	3-(tert-Butyl)-1-(3-pyridyl)pyrazole-5-amine
CAS:	876299-97-7
Synonyms:	5-tert-butyl-2-(3-pyridinyl)-3-pyrazolamine; 5-tert-butyl-2-pyridin-3-ylpyrazol-3-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-tert-butyl-2-pyridin-3-ylpyrazol-3-amine
Description:	3-(tert-Butyl)-1-(3-pyridyl)pyrazole-5-amine (CAS# 876299-97-7) is a useful research chemical.
Molecular Weight:	216.28
Molecular Formula:	C12H16N4
Canonical SMILES:	CC(C)(C)C1=NN(C(=C1)N)C2=CN=CC=C2
InChI:	InChI=1S/C12H16N4/c1-12(2,3)10-7-11(13)16(15-10)9-5-4-6-14-8-9/h4-8H,13H2,1-3H3
InChI Key:	PKZOPZWDEDXAED-UHFFFAOYSA-N
LogP:	2.72820

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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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.137496527
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.137496527
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2