3-(3-Nitrophenyl)-1H-pyrazole - CAS 59843-77-5

Catalog:	BB030525
Product Name:	3-(3-Nitrophenyl)-1H-pyrazole
CAS:	59843-77-5
Synonyms:	5-(3-nitrophenyl)-1H-pyrazole

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Computed Properties

IUPAC Name:	5-(3-nitrophenyl)-1H-pyrazole
Description:	3-(3-Nitrophenyl)-1H-pyrazole (CAS# 59843-77-5) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C9H7N3O2
Canonical SMILES:	C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NN2
InChI:	InChI=1S/C9H7N3O2/c13-12(14)8-3-1-2-7(6-8)9-4-5-10-11-9/h1-6H,(H,10,11)
InChI Key:	RUWXJVIBNZSEQD-UHFFFAOYSA-N
Boiling Point:	428.7 ℃ at 760 mmHg
Purity:	95 %
Density:	1.369 g/cm³
MDL:	MFCD00106146
LogP:	2.50810

Publication Number	Title	Priority Date
WO-2019165158-A1	Il-6 inhibitors and methods of treatment	20180222
US-2021206718-A1	Il-6 inhibitors and methods of treatment	20180222
BR-112020015072-A2	PROTEIN KINASE MKK4 INHIBITORS TO PROMOTE LIVER REGENERATION, OR REDUCE, OR PREVENT HEPATOCYT DEATH	20180131
EP-2493858-A1	Androgen receptor modulating compounds	20091027
WO-2011051540-A1	Androgen receptor modulating compounds	20091027

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Related Functional Groups

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GHS Hazard Statement:	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.053826475
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7