N-(3-Methyl-4-nitro-1H-pyrazol-5-yl)glycine - CAS 1046468-89-6

Catalog:	BB046505
Product Name:	N-(3-Methyl-4-nitro-1H-pyrazol-5-yl)glycine
CAS:	1046468-89-6
Synonyms:	2-[(3-methyl-4-nitropyrazol-5-yl)amino]acetic acid; 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)amino]acetic acid

Technical Data

Computed Properties

IUPAC Name:	2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]acetic acid
Description:	N-(3-Methyl-4-nitro-1H-pyrazol-5-yl)glycine (CAS# 1046468-89-6 ) is a useful research chemical.
Molecular Weight:	200.15
Molecular Formula:	C6H8N4O4
Canonical SMILES:	CC1=C(C(=NN1)NCC(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C6H8N4O4/c1-3-5(10(13)14)6(9-8-3)7-2-4(11)12/h2H2,1H3,(H,11,12)(H2,7,8,9)
InChI Key:	SFXBUUPMNUPZDG-UHFFFAOYSA-N
Boiling Point:	573.0±50.0 °C at 760 mmHg
Density:	1.7±0.1 g/cm³
Appearance:	Solid

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

Pyrazoles

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[2171315-38-9]
3-Bromo-1-ethyl-5-nitro-1H-pyrazole
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.05455475
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	200.05455475
Rotatable Bond Count:	3
Topological Polar Surface Area:	124
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9