3-Amino-5-(2-chlorophenyl)pyrazole - CAS 126520-01-2

Catalog:	BB006594
Product Name:	3-Amino-5-(2-chlorophenyl)pyrazole
CAS:	126520-01-2
Synonyms:	5-(2-chlorophenyl)-1H-pyrazol-3-amine; 5-(2-chlorophenyl)-1H-pyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-(2-chlorophenyl)-1H-pyrazol-3-amine
Description:	3-Amino-5-(2-chlorophenyl)pyrazole (CAS# 126520-01-2) is a useful research chemical.
Molecular Weight:	193.63
Molecular Formula:	C9H8ClN3
Canonical SMILES:	C1=CC=C(C(=C1)C2=CC(=NN2)N)Cl
InChI:	InChI=1S/C9H8ClN3/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChI Key:	CCHHJUFHNSRPLT-UHFFFAOYSA-N
Boiling Point:	441.4 °C at 760 mmHg
Density:	1.378 g/cm³
MDL:	MFCD11506469
LogP:	2.89350

Publication Number	Title	Priority Date
CN-112876482-A	Polysubstituted heterocyclic derivative, preparation method and medical application thereof	20201231
US-2020061068-A1	Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives	20170313
US-10960007-B2	Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives	20170313
EP-2957562-A1	Pyrazolotriazines as inhibitors of nucleases	20140620
EP-2957562-B1	Pyrazolotriazines as inhibitors of nucleases	20140620

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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0406750
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.0406750
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2