chempirical

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol

C6H10N2OCAS 153912-60-8126.16 g/mol

Open in Covalent MOL file
NNOH
Alcohol

Properties

Molecular formula
C6H10N2O
Molar mass
126.16 g/mol
Exact mass
126.0793 Da
logP
0.22Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
153912-60-8
SMILES
CC1=CC(=NN1C)CO
InChIKey
XJBMHIHXRARJJS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O/c1-5-3-6(4-9)7-8(5)2/h3,9H,4H2,1-2H3

Weigh it out

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

Work with (1,5-Dimethyl-1H-pyrazol-3-yl)methanol

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-(Chloromethyl)-1,5-dimethyl-1H-pyrazole180519-09-961 % similar (1,5-Dimethyl-1H-pyrazol-3-yl)methanamine423768-52-961 % similar 1,3,5-Trimethylpyrazole1072-91-950 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-243 % similar Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate5744-51-438 % similar (5-Methyl-1,2-oxazol-3-yl)methanol35166-33-737 % similar 1-Methyl-1H-pyrazole-5-methanol84547-61-537 % similar 6-Methyl-2-pyridinemethanol1122-71-033 % similar

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

Same formula

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 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-1

Elsewhere

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