3-(Aminomethyl)-5-phenylpyrazole - CAS 936940-08-8

Catalog:	BB041025
Product Name:	3-(Aminomethyl)-5-phenylpyrazole
CAS:	936940-08-8
Synonyms:	(3-phenyl-1H-pyrazol-5-yl)methanamine; (3-phenyl-1H-pyrazol-5-yl)methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-phenyl-1H-pyrazol-5-yl)methanamine
Description:	3-(Aminomethyl)-5-phenylpyrazole (CAS# 936940-08-8) is used to study S-adenosyl-L-homocystein-derived potent and selective EZH2 inhibitors.
Molecular Weight:	173.21
Molecular Formula:	C10H11N3
Canonical SMILES:	C1=CC=C(C=C1)C2=NNC(=C2)CN
InChI:	InChI=1S/C10H11N3/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7,11H2,(H,12,13)
InChI Key:	SZLBOMHYJMAXRA-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD08361798
LogP:	2.23570

Publication Number	Title	Priority Date
WO-2009077844-A2	Inhibitors of biofilm formation of gram-positive and gram-negative bacteria	20071217
EP-1989204-A1	Pyrazoloquinolones are potent parp inhibitors	20060215
WO-2007095628-A1	Pyrazoloquinolones are potent parp inhibitors	20060215
WO-2005081960-A2	Inhibitors of protein tyrosine phosphatase 1b	20040225
EP-1189609-A1	Cxcr-4 receptor antagonists - thrombopoietin mimetics	19990503

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.095297364
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.095297364
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8