3-Cyclopropyl-4-nitro-1H-pyrazole - CAS 1249581-67-6

Catalog:	BB006025
Product Name:	3-Cyclopropyl-4-nitro-1H-pyrazole
CAS:	1249581-67-6
Synonyms:	5-cyclopropyl-4-nitro-1H-pyrazole; 5-cyclopropyl-4-nitro-1H-pyrazole

Technical Data

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Computed Properties

IUPAC Name:	5-cyclopropyl-4-nitro-1H-pyrazole
Description:	3-Cyclopropyl-4-nitro-1H-pyrazole (CAS# 1249581-67-6 ) is a useful research chemical.
Molecular Weight:	153.14
Molecular Formula:	C6H7N3O2
Canonical SMILES:	C1CC1C2=C(C=NN2)[N+](=O)[O-]
InChI:	InChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChI Key:	WRYNUOFZIOHDEB-UHFFFAOYSA-N
LogP:	1.71850

Publication Number	Title	Priority Date
WO-2020210684-A1	Compounds, compositions and methods	20190411
TW-202104213-A	Compounds, compositions and methods	20190411
CN-111484482-A	Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof	20190129
WO-2020156283-A1	Alkynylpyrimidine or alkynylpyridine compound, and composition and application thereof	20190129
US-2019359598-A1	Heteroaromatic derivatives as nik inhibitors	20160630

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Related Functional Groups

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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:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.053826475
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6