1-Phenyl-5-propyl-1H-pyrazole-4-carboxylic acid

C₁₃H₁₄N₂O₂CAS 116344-17-3230.27 g/mol

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Carboxylic acid

Properties

Molecular formula: C₁₃H₁₄N₂O₂
Molar mass: 230.27 g/mol
Exact mass: 230.1055 Da
Melting point: 112 °C
logP: 2.52Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

116344-17-3

SMILES

CCCc1c(C(=O)O)cnn1-c1ccccc1

InChIKey

CBYITWPSSDTYTN-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2O2/c1-2-6-12-11(13(16)17)9-14-15(12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)

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Names and synonyms

2 names

1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-propyl-
1-Phenyl-5-propylpyrazole-4-carboxylic acid

Work with 1-Phenyl-5-propyl-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

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-754 % similar 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-343 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-043 % similar 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-542 % similar Pyrazolo[1,5-A]pyridine-3-carboxylic acid16205-46-242 % similar Monobutyl phthalate131-70-441 % similar 2-Propoxybenzoic acid2100-31-441 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-240 % similar

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

Same formula

5-Cyclobutyl-5-phenylhydantoin125650-44-4 1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid5470-37-1

Elsewhere

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