1H-Indazole-3-carboxamide - CAS 90004-04-9

Catalog:	BB039732
Product Name:	1H-Indazole-3-carboxamide
CAS:	90004-04-9
Synonyms:	1H-indazole-3-carboxamide; 1H-indazole-3-carboxamide

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Computed Properties

IUPAC Name:	1H-indazole-3-carboxamide
Description:	1H-Indazole-3-carboxamide (CAS# 90004-04-9) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C8H7N3O
Canonical SMILES:	C1=CC=C2C(=C1)C(=NN2)C(=O)N
InChI:	InChI=1S/C8H7N3O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,9,12)(H,10,11)
InChI Key:	DITBWPUMEUDVLU-UHFFFAOYSA-N
LogP:	1.36210

Publication Number	Title	Priority Date
US-10907163-B1	Aptamers that bind to natural and synthetic cannabinoids	20200615
WO-2021125802-A1	Novel indazole derivative, and use thereof	20191216
WO-2021067654-A1	Indazole carboxamides as kinase inhibitors	20191003
WO-2021055906-A1	Injection systems and methods of their use	20190920
WO-2021055672-A1	Compositions of cannabinoids for delivery by inhalation	20190918

PMID	Publication Date	Title	Journal
32688070	20200901	The short-acting synthetic cannabinoid AB-FUBINACA induces physical dependence in mice	Drug and alcohol dependence
30280499	20190301	Application of an activity-based receptor bioassay to investigate the in vitro activity of selected indole- and indazole-3-carboxamide-based synthetic cannabinoids at CB1 and CB2 receptors	Drug testing and analysis
22177599	20120401	Design and synthesis of N-substituted indazole-3-carboxamides as poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors(†)	Chemical biology & drug design
17201405	20070111	Development of dihydropyridone indazole amides as selective Rho-kinase inhibitors	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.058911855
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8