chempirical

3-Cyclopropyl-1H-pyrazole

C6H8N2CAS 100114-57-6108.14 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C6H8N2
Molar mass
108.14 g/mol
Exact mass
108.0687 Da
logP
1.29Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
100114-57-6
SMILES
C1CC1C2=CC=NN2
InChIKey
TXWDVWSJMDFNQY-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)

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Work with 3-Cyclopropyl-1H-pyrazole

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-Pyridazinamine5469-70-530 % similar

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

Same formula

Phenylhydrazine100-63-0 P-Phenylenediamine106-50-3 M-Phenylenediamine108-45-2 2,6-Dimethylpyrazine108-50-9 Adiponitrile111-69-3 4-(Methylamino)pyridine1121-58-0 2,5-Dimethylpyrazine123-32-0 2-Ethylpyrazine13925-00-3

Elsewhere

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