1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole

C₈H₁₂N₂OCAS 449758-17-2152.20 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₈H₁₂N₂O
Molar mass: 152.20 g/mol
Exact mass: 152.0950 Da
logP: 1.58Crippen estimate
Polar surface area: 27.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin80% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

449758-17-2

SMILES

c1cnn(C2CCCCO2)c1

InChIKey

IMZWSOSYNFVECD-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O/c1-2-7-11-8(4-1)10-6-3-5-9-10/h3,5-6,8H,1-2,4,7H2

Weigh it out

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

Names and synonyms

5 names

1H-Pyrazole, 1-(tetrahydro-2H-pyran-2-yl)-
1-(Tetrahydro-pyran-2-yl)-1H-pyrazole
1-(Oxan-2-yl)-1H-pyrazole
1-(Oxan-2-yl)pyrazole
1-(2-Tetrahydropyranyl)-1H-pyrazole

Work with 1-(Tetrahydro-2H-pyran-2-yl)-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-Bromo-1-(oxan-2-yl)-1H-pyrazole1044270-96-349 % similar 4-Bromo-1-(oxan-2-yl)-1H-pyrazole82099-98-749 % similar 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester1003846-21-640 % similar 1-Isopropyl-1H-pyrazole18952-87-939 % similar 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester903550-26-538 % similar 6-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine7306-68-533 % similar 1-(Tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole1029684-37-432 % similar N-(Phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine2312-73-430 % similar

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

Same formula

2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-4 β-Oxo-1-piperidinepropanenitrile15029-30-8 Isopropyl methoxypyrazine25773-40-4 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-2 2-Ethoxy-3-ethylpyrazine35243-43-7 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-5 4-(1,1-Dimethylethyl)-1H-imidazole-5-carboxaldehyde714273-83-3 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one771579-27-2

Elsewhere

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