1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid

C7H10N2O2CAS 1125-29-7154.17 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
logP
0.74Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1125-29-7
SMILES
CC1=C(C(=NN1C)C)C(=O)O
InChIKey
NOIOGQJFLIPRBI-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)

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Work with 1,3,5-Trimethyl-1H-pyrazole-4-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

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid61226-19-555 % similar 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid5775-88-253 % similar 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-850 % similar 4-Bromo-1,3,5-trimethylpyrazole15801-69-144 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-944 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-244 % similar 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9ci)78703-53-444 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde2644-93-143 % 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 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 Ethyl 1-methylimidazole-2-carboxylate30148-21-1

Elsewhere

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