chempirical

3,5-Dimethyl-1H-pyrazole-1-acetic acid

C7H10N2O2CAS 16034-49-4154.17 g/mol

Open in Covalent MOL file
NOOHN
Carboxylic acid

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
Melting point
182 °C
Boiling point
120–127 °C (at 14 Torr)
logP
0.58Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 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

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
16034-49-4
SMILES
Cc1cc(C)n(CC(=O)O)n1
InChIKey
JYSWEDYPQJOEPO-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11)

Weigh it out

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Names and synonyms

6 names
  • 3,5-Dimethyl-1-pyrazolylacetic acid
  • (3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
  • 2-(3,5-Dimethylpyrazol-1-yl)acetic acid
  • 2-(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
  • 1H-Pyrazole-1-acetic acid, 3,5-dimethyl-
  • Pyrazole-1-acetic acid, 3,5-dimethyl-

Work with 3,5-Dimethyl-1H-pyrazole-1-acetic 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-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-154 % similar 3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine62821-89-049 % similar 2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-amine62821-88-949 % similar 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid50920-65-545 % similar 2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid55749-30-944 % similar 3,5-Dimethyl-1H-pyrazole-1-carboxamide934-48-543 % similar 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid81282-82-842 % similar 3-Methyl-5-isoxazoleacetic acid 9819668-85-041 % 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 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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