5-Methoxy-1H-indazole - CAS 94444-96-9

Catalog:	BB041326
Product Name:	5-Methoxy-1H-indazole
CAS:	94444-96-9
Synonyms:	5-methoxy-1H-indazole; 5-methoxy-1H-indazole

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Computed Properties

IUPAC Name:	5-methoxy-1H-indazole
Description:	5-Methoxy-1H-indazole (CAS# 94444-96-9) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	COC1=CC2=C(C=C1)NN=C2
InChI:	InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)
InChI Key:	GZWWDKIVVTXLFL-UHFFFAOYSA-N
Boiling Point:	312.497 °C at 760 mmHg
Density:	1.244 g/cm³
MDL:	MFCD07781657
LogP:	1.57150

Publication Number	Title	Priority Date
WO-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	20190313
US-2019276440-A1	Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof	20170630
EP-3481835-A1	Calpain modulators and therapeutic uses thereof	20160705
WO-2018009417-A1	Calpain modulators and therapeutic uses thereof	20160705
US-2020392157-A1	Calpain modulators and therapeutic uses thereof	20160705

PMID	Publication Date	Title	Journal
11354365	20010507	Inhibition of neuronal nitric oxide synthase by 7-methoxyindazole and related substituted indazoles	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Indazoles

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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, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2