1-Isopropyl-1H-pyrazole

C₆H₁₀N₂CAS 18952-87-9110.16 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

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 1-Ethylpyrazole2817-71-236 % 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 N-Ethyl-2-methylimidazole21202-52-8 Pyrrolidine-1-acetonitrile29134-29-0 1-Propylimidazole35203-44-2 2-Isopropylimidazole36947-68-9 4-Cyanopiperidine4395-98-6 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Ethyl-4-methylimidazole46227-74-1

Elsewhere

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