1-(Hydroxymethyl)-3,5-dimethylpyrazole

C₆H₁₀N₂OCAS 85264-33-1126.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀N₂O
Molar mass: 126.16 g/mol
Exact mass: 126.0793 Da
Melting point: 108–109 °C
logP: 0.45Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers
H412 Harmful to aquatic life with long lasting effects87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

85264-33-1

SMILES

Cc1cc(C)n(CO)n1

InChIKey

OBENDWOJIFFDLZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N2O/c1-5-3-6(2)8(4-9)7-5/h3,9H,4H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

1H-Pyrazole-1-methanol, 3,5-dimethyl-
Pyrazole-1-methanol, 3,5-dimethyl-
3,5-Dimethyl-1H-pyrazole-1-methanol
N-(Hydroxymethyl)-3,5-dimethylpyrazole
3,5-Dimethylpyrazole-1-methanol
3,5-Dimethyl-1-(hydroxymethyl)pyrazole
3,5-Dimethylpyrazol-1-methanol
NSC 71880
(3,5-Dimethyl-1H-pyrazol-1-yl)methanol
2-(Hydroxymethyl)-3,5-dimethylpyrazole
(3,5-Dimethyl-pyrazol-1-yl)-methanol
Di(3,5-dimethyl-1H-pyrazol-1-yl)-1-methanol

Work with 1-(Hydroxymethyl)-3,5-dimethylpyrazole

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

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-amine62821-88-958 % similar 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-454 % similar 3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine62821-89-053 % similar 1,3,5-Trimethylpyrazole1072-91-947 % similar 3,5-Dimethyl-1H-pyrazole-1-carboxamide934-48-542 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-440 % similar 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid50920-65-538 % similar 1-Cyanoacetyl-3,5-dimethylpyrazole36140-83-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol153912-60-8 2-Methyl-1H-imidazole-1-ethanol1615-15-2 3-Propyl-1,4-dihydropyrazol-5-one29211-70-9 (1,3-Dimethyl-1H-pyrazol-5-yl)methanol57012-20-1

Elsewhere

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