chempirical

4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid

C7H9ClN2O2CAS 127892-62-0188.61 g/mol

Open in Covalent MOL file
NNClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H9ClN2O2
Molar mass
188.61 g/mol
Exact mass
188.0353 Da
logP
1.33Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
127892-62-0
SMILES
CCC1=NN(C(=C1Cl)C(=O)O)C
InChIKey
NXAIFVHVBHMNJS-UHFFFAOYSA-N
InChI
InChI=1S/C7H9ClN2O2/c1-3-4-5(8)6(7(11)12)10(2)9-4/h3H2,1-2H3,(H,11,12)

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Work with 4-Chloro-3-ethyl-1-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

Tolfenpyrad129558-76-547 % similar Tebufenpyrad119168-77-347 % similar 6-Chloro-2-ethylimidazo[1,2-A]pyridine-3-carboxylic acid1216142-18-544 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-038 % similar 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid128455-63-037 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-736 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-236 % similar Chlorthal2136-79-035 % similar

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

Same formula

2-(Chloromethyl)-4,6-dimethoxypyrimidine114108-86-0 p-Nitrobenzylamine hydrochloride18600-42-5 p-Hydrazinobenzoic acid hydrochloride24589-77-3 3-Nitrobenzylamine monohydrochloride26177-43-5 2-Carboxyphenylhydrazine hydrochloride52356-01-1

Elsewhere

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