chempirical

1,3,5-Trimethylpyrazole

C6H10N2CAS 1072-91-9110.16 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C6H10N2
Molar mass
110.16 g/mol
Exact mass
110.0844 Da
logP
1.04Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1072-91-9
SMILES
CC1=CC(=NN1C)C
InChIKey
HNOQAFMOBRWDKQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,3,5-Trimethylpyrazole

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

1,3-Dimethyl-1H-pyrazol-5-amine3524-32-156 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-356 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-756 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-450 % similar 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole852227-86-250 % similar 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-147 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-245 % similar 3,5-Dimethyl-1H-pyrazole-1-carboxamide934-48-542 % similar

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

Same formula

1-Isopropyl-1H-pyrazole18952-87-9 1-Pyrrolidineacetonitrile29134-29-0 1-Propylimidazole35203-44-2 2-Isopropylimidazole36947-68-9 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Propylimidazole50995-95-4 2-Ethyl-4-methylimidazole931-36-2

Elsewhere

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