chempirical

3-Chloro-1H-pyrazole

C3H3ClN2CAS 14339-33-4102.52 g/mol

Open in Covalent MOL file
NHNCl
Aryl halide

Properties

Molecular formula
C3H3ClN2
Molar mass
102.52 g/mol
Exact mass
101.9985 Da
logP
1.06Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
14339-33-4
SMILES
C1=C(NN=C1)Cl
InChIKey
IJPFBRONCJOTTA-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)

Weigh it out

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

Work with 3-Chloro-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-Pyridazinamine5469-70-533 % similar

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

Same formula

4-Chloropyrazole15878-00-9 5-Chloro-1H-imidazole15965-31-8 2-Chloro-1H-imidazole16265-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook