1-Methyl-3,4-dinitro-1H-pyrazole

CAT: 0926-RCA29667-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-RCA29667-01Size:100 mg

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CAS Number

66296-67-1

MDL Number

MFCD00466337

Smiles

CN1C=C (C (=N1) [N+] (=O) [O-]) [N+] (=O) [O-]

Molecular Formula

C4H4N4O4

Molecular Weight

172.1 g/mol

Controlled

Chemical Information

1-methyl-3,4-dinitro-1H-pyrazole

CAS Number	66296-67-1
PubChem CID	7172355
IUPAC Name	1-methyl-3,4-dinitropyrazole
Molecular Formula	C4H4N4O4
Molecular Weight	172.10
XLogP	0.2
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	208

SMILES

CN1C=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C4H4N4O4/c1-6-2-3(7(9)10)4(5-6)8(11)12/h2H,1H3

InChIKey

VDTOUIPOAUVOLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66296-67-1

CID: 7172355

Formula: C4H4N4O4

MW: 172.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.10
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	172.02325462
Monoisotopic Mass	172.02325462
Topological Polar Surface Area	109 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	208
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JDA54796-01	4-Chloro-1-methyl-3,5-dinitro-1H-pyrazole
FD118797-01	3,5-Dinitro-1H-pyrazole
SCA08878-01	1-Methyl-4- (1-methyl-1H-pyrazole-4-carbonyl) -1H-pyrazole
ZZB53511-01	1-Methyl-3- (1-methyl-1H-pyrazol-4-yl) -1H-pyrazole-4-carbaldehyde
YZB09613-01	3- (1-Methyl-1H-pyrazol-4-yl) -1H-pyrazole-4-carbaldehyde
PJB23961-01	3-Methyl-4- (trifluoromethyl) -1H-pyrazole
KQD93708-01	1-Methyl-3- (1H-pyrazol-4-yl) -1H-pyrazole dihydrochloride
DGA08514-01	4-Methyl-3- (trifluoromethyl) -1H-pyrazole
IXB71573-01	1- (3-Bromophenyl) -4-methyl-1H-pyrazole
DXC58468-01	1- (4-Methyl-3-nitrophenyl) -1H-pyrazole

Catalog	Name
OR307165	1-Methyl-3,4-dinitro-1H-pyrazole
sc-313644	3,4-Dinitro-1H-pyrazole
OR1035402-01	1,4-Dinitro-1H-pyrazole
sc-302549	1- (Methoxymethyl) -4-methyl-3,5-dinitro-1H-pyrazole
sc-289350	3,5-dinitro-1H-pyrazole
OR1047244-01	1-Methyl-4- (1-methyl-1H-pyrazole-4-carbonyl) -1H-pyrazole
OR13451	3,4-Dinitro-1H-pyrazole-5-carboxylic acid
sc-347833A	4- (3-bromopropyl) -1-methyl-1H-pyrazole
sc-258794	1-Methyl-3- (4-aminophenyl) -1H-pyrazole
OR1100998-01	1- (3-Bromophenyl) -4-methyl-1H-pyrazole