chempirical

5-(Propan-2-yl)-1H-pyrazole-3-carboxylic acid

C7H10N2O2CAS 92933-47-6154.17 g/mol

Open in Covalent MOL file
NHNOOH
Carboxylic acid

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
logP
1.23Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
92933-47-6
SMILES
CC(C)C1=CC(=NN1)C(=O)O
InChIKey
CHWXKAHFWLSLOQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)

Weigh it out

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Names and synonyms

1 names
  • 5-Isopropyl-2H-pyrazole-3-carboxylic acid

Work with 5-(Propan-2-yl)-1H-pyrazole-3-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

5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester78208-72-756 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-956 % similar Pyrazole-3,5-dicarboxylic acid3112-31-055 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-851 % similar 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-151 % similar 1H-Pyrazole-3,5-dicarboxylic acid monohydrate303180-11-250 % similar 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-246 % similar 5-Nitro-3-pyrazolecarboxylic acid198348-89-946 % 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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