4-(4-bromophenyl)-1H-pyrazol-3-amine - CAS 40545-64-0

Catalog:	BB061884
Product Name:	4-(4-bromophenyl)-1H-pyrazol-3-amine
CAS:	40545-64-0
Synonyms:	4-(4-Bromophenyl)-1H-pyrazol-5-amine; 4-(4-bromophenyl)-1H-pyrazol-3-amine; 4-(4-Bromophenyl)-2H-pyrazol-3-amine; 4-(4-Bromophenyl)-1H-pyrazol-3-ylamine; 5-Amino-4-(4-bromophenyl)pyrazole

Technical Data

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Computed Properties

IUPAC Name:	4-(4-bromophenyl)-1H-pyrazol-5-amine
Description:	4-(4-bromophenyl)-1H-pyrazol-3-amine
Molecular Weight:	238.08
Molecular Formula:	C9H8BrN3
Canonical SMILES:	C1=CC(=CC=C1C2=C(NN=C2)N)Br
InChI:	InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChI Key:	ABKUXQSVMWMABM-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2012277224-A1	Heterocyclic compounds for the inhibition of pask	20110426
WO-2012149157-A2	Heterocyclic compounds for the inhibition of pask	20110426
US-10953012-B2	Heterocyclic compounds for the inhibition of pask	20110426
WO-2011014520-A2	Compounds and compositions as modulators of gpr119 activity	20090729
CA-2694218-A1	Anti-mitotic agent and aurora kinase inhibitor combination as anti-cancer treatment	20070731
CN-101808666-A	Anti-mitotic agent and aurora kinase inhibitor combination as anti-cancer treatment	20070731
EP-2182986-A2	Anti-mitotic agent and aurora kinase inhibitor combination as anti-cancer treatment	20070731
JP-2010535201-A	Anti-mitotic and aurora kinase inhibitors as anti-cancer treatments	20070731
TW-200911241-A	Anti-mitotic agent and aurora kinase inhibitor combination as anti-cancer treatment	20070731
US-2010249030-A1	Anti-mitotic agent and aurora kinase inhibitor combination as anti-cancer treatment	20070731

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.99016
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.99016
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2