chempirical

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

C7H10N2O2CAS 50920-65-5154.17 g/mol

Open in Covalent MOL file
NNOHO
Carboxylic acid

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
logP
0.91Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50920-65-5
SMILES
CCN1C(=CC(=N1)C)C(=O)O
InChIKey
VFMGOJUUTAPPDA-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-3-9-6(7(10)11)4-5(2)8-9/h4H,3H2,1-2H3,(H,10,11)

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Work with 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

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

1,3-Dimethylpyrazole-5-carboxylic acid5744-56-959 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-042 % similar 2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid739364-95-542 % similar 2,6-Dimethylisonicotinic acid54221-93-142 % similar 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid81282-82-841 % similar Nalidixic acid389-08-241 % similar 3-Methyl-5-isoxazolecarboxylic acid4857-42-540 % similar Cinoxacin28657-80-940 % similar

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

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 4-(Cyanoacetyl)morpholine15029-32-0 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 Ethyl 2-(1H-imidazol-1-yl)acetate17450-34-9 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-9

Elsewhere

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