1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide

C₈H₁₂N₄O₃CAS 139756-01-7212.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂N₄O₃
Molar mass: 212.21 g/mol
Exact mass: 212.0909 Da
Melting point: 141–143 °C
logP: 0.38Crippen estimate
Polar surface area: 104.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 616-126-00-X), via PubChem.

Precautionary statements

P260, P264, P270, P273, P301+P317, P319, P330, P501

Identifiers

CAS number

139756-01-7

SMILES

CCCc1nn(C)c(C(N)=O)c1[N+](=O)[O-]

InChIKey

BMLPAJIEDKJHSB-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N4O3/c1-3-4-5-6(12(14)15)7(8(9)13)11(2)10-5/h3-4H2,1-2H3,(H2,9,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1H-Pyrazole-5-carboxamide, 1-methyl-4-nitro-3-propyl-
1-Methyl-4-nitro-3-propylpyrazole-5-carboxamide
2-Methyl-4-nitro-5-propylpyrazole-3-carboxamide

Work with 1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide139756-02-861 % similar 4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide hydrochloride (1:1)247584-10-757 % similar 5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole13551-73-035 % similar 1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-833 % similar 5-Chloro-2-nitrobenzamide40763-96-033 % similar 4-Nitrobenzamide619-80-733 % similar 3-Methyl-4-nitrobenzamide99584-85-731 % similar 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid127892-62-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Histidylglycine2578-58-7 Caffeine monohydrate5743-12-4 6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione89073-60-9

Elsewhere

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