1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide

HCID 1229764CAS 78208-58-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nn(C)c(C(N)=O)c1[N+](=O)[O-]
InChIKey
JZIBSZJXVQEBEU-UHFFFAOYSA-N
Molecular formula
C6H8N4O3
Average molar mass
184.15 g/mol
Monoisotopic mass
184.05964012

Names & identifiers

Preferred name
1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
IUPAC
1,3-dimethyl-4-nitropyrazole-5-carboxamide
English name
1,3-Dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Molecular formula
C6H8N4O3
Molecular weight
184.15

Names & synonyms

1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide78208-58-9DTXSID30361191RefChem:218735DTXCID503122412,5-dimethyl-4-nitropyrazole-3-carboxamide1,3-dimethyl-4-nitropyrazole-5-carboxamide2,5-Dimethyl-4-nitro-2H-pyrazole-3-carboxylic acid amideMaybridge1_008447Sildenafil Impurity 239SCHEMBL1608919HMS565H21
Show more names
Sildenafil Impurity 1121H-Pyrazole-5-carboxamide, 1,3-dimethyl-4-nitro-
JZIBSZJXVQEBEU-UHFFFAOYSA-NDDA20858MFCD00662667STL398480AKOS003726173AB06653ST0986381,3-Dimethyl-4-nitro-5-pyrazolecarboxamide

Database identifiers

CAS
78208-58-9
PubChem CID
1229764
DTXSID
DTXSID30361191

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
153 · 153-155 °C
Boiling point
311.2 · 311.2±42.0 °C(Predicted)
Density
1.61 · 1.61±0.1 g/cm3(Predicted)
pka
14 · 14+-.0.50(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers11 total

上海炎泽化工有限公司15345144255 19975051755 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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