chempirical

1-Isopropyl-1H-pyrazole

C6H10N2CAS 18952-87-9110.16 g/mol

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Properties

Molecular formula
C6H10N2
Molar mass
110.16 g/mol
Exact mass
110.0844 Da
Boiling point
141–145 °C
logP
1.46Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
18952-87-9
SMILES
CC(C)n1cccn1
InChIKey
ANMVTDVBEDVFRB-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c1-6(2)8-5-3-4-7-8/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Pyrazole, 1-(1-methylethyl)-
  • Pyrazole, 1-isopropyl-
  • 1-(1-Methylethyl)-1H-pyrazole
  • 1-Isopropylpyrazole
  • 1-Propan-2-ylpyrazole
  • 1-(Propan-2-yl)-1H-pyrazole

Work with 1-Isopropyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-1H-pyrazole930-36-940 % similar 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole449758-17-239 % similar 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-132 % similar 2-Pyrazol-1-ylethylamin101395-71-530 % similar 1-Phenylpyrazole1126-00-730 % similar

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

Same formula

1,3,5-Trimethylpyrazole1072-91-9 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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