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Methyl 1-Methyl-4-nitropyrazole-3-carboxylate

Methyl 1-Methyl-4-nitropyrazole-3-carboxylate - CAS 400877-57-8

Name: Methyl 1-Methyl-4-nitropyrazole-3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024301
Product Name:	Methyl 1-Methyl-4-nitropyrazole-3-carboxylate
CAS:	400877-57-8
Synonyms:	1-methyl-4-nitro-3-pyrazolecarboxylic acid methyl ester; methyl 1-methyl-4-nitropyrazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1-methyl-4-nitropyrazole-3-carboxylate
Description:	Methyl 1-Methyl-4-nitropyrazole-3-carboxylate (CAS# 400877-57-8) is a useful research chemical.
Molecular Weight:	185.14
Molecular Formula:	C6H7N3O4
Canonical SMILES:	CN1C=C(C(=N1)C(=O)OC)[N+](=O)[O-]
InChI:	InChI=1S/C6H7N3O4/c1-8-3-4(9(11)12)5(7-8)6(10)13-2/h3H,1-2H3
InChI Key:	KRIOGKNOYPHJPC-UHFFFAOYSA-N
LogP:	0.63810

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[328270-02-6]C11H16N2OS
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Publication Number	Title	Priority Date
WO-2021075476-A1	Heterocyclic compound	20191018
CN-111902400-A	Aromatic derivatives, process for their preparation and their medical use	20190305
TW-202100514-A	Aromatic derivatives, preparation methods, and medical uses thereof	20190305
WO-2020177067-A1	Aromatic derivatives, preparation methods, and medical uses thereof	20190305
WO-2020177534-A1	Aromatic derivatives, preparation methods, and medical uses thereof	20190305

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.04365571
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.04365571
Rotatable Bond Count:	2
Topological Polar Surface Area:	89.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2