1,3-Dimethyl-4-nitropyrazole - CAS 3920-38-5

Catalog:	BB023880
Product Name:	1,3-Dimethyl-4-nitropyrazole
CAS:	3920-38-5
Synonyms:	1,3-dimethyl-4-nitropyrazole; 1,3-dimethyl-4-nitropyrazole

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Computed Properties

IUPAC Name:	1,3-dimethyl-4-nitropyrazole
Description:	1,3-Dimethyl-4-nitropyrazole (CAS# 3920-38-5) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	CC1=NN(C=C1[N+](=O)[O-])C
InChI:	InChI=1S/C5H7N3O2/c1-4-5(8(9)10)3-7(2)6-4/h3H,1-2H3
InChI Key:	AKFKERAVXIGUNB-UHFFFAOYSA-N
MDL:	MFCD00464263
LogP:	1.15990

Publication Number	Title	Priority Date
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809
WO-2021027647-A1	Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof	20190809
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
WO-2018185236-A1	Pzrayole derivatives used as inverse agonists of the ror gamma (t) retinoid-related orphan gamma receptor	20170406

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Related Functional Groups

Pyrazoles

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[1006443-01-1]
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[956439-56-8]
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[1082066-00-9]
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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.053826475
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5