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5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile - CAS 64096-89-5

Catalog:	BB032369
Product Name:	5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
CAS:	64096-89-5
Synonyms:	5-amino-1-(2-chlorophenyl)pyrazole-4-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-1-(2-chlorophenyl)pyrazole-4-carbonitrile
Description:	5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile (CAS# 64096-89-5) is a useful research chemical.
Molecular Weight:	218.64
Molecular Formula:	C10H7ClN4
Canonical SMILES:	C1=CC=C(C(=C1)N2C(=C(C=N2)C#N)N)Cl
InChI:	InChI=1S/C10H7ClN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChI Key:	FAKNEJZRRRHJEU-UHFFFAOYSA-N
Boiling Point:	433.947 °C at 760 mmHg
Appearance:	Solid
MDL:	MFCD00128297
LogP:	2.56078

Publication Number	Title	Priority Date
WO-2010118367-A2	Antiviral pyrimidines	20090410
AU-2008248073-A1	Pyrazolo-pyridinone compounds, process for their preparation, and their pharmaceutical use	20070507
AU-2008248073-B2	Pyrazolo-pyridinone compounds, process for their preparation, and their pharmaceutical use	20070507
CA-2685674-C	Pyrazolo-pyridinone compounds, process for their preparation, and their pharmaceutical use	20070507
EP-2152704-A1	Pyrazolo-pyridinone compounds, process for their preparation, and their pharmaceutical use	20070507

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Related Functional Groups

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GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	274
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.0359239
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.0359239
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4