(1-Methyl-1H-pyrazol-4-yl)methanol

C₅H₈N₂OCAS 112029-98-8112.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈N₂O
Molar mass: 112.13 g/mol
Exact mass: 112.0637 Da
logP: -0.09Crippen 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 irritation100% of notifiers

Aggregated from 3 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

112029-98-8

SMILES

CN1C=C(C=N1)CO

InChIKey

QSXREDPBMQKKAY-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O/c1-7-3-5(4-8)2-6-7/h2-3,8H,4H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Hydroxymethyl-1-methylpyrazole

Work with (1-Methyl-1H-pyrazol-4-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

1,4-Dimethylpyrazole1072-68-050 % similar (1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-744 % similar 4-Bromo-1-methyl-1H-pyrazole15803-02-843 % similar 1-Methyl-4-iodo-1H-pyrazole39806-90-143 % similar 1-Methyl-1H-pyrazol-4-ylamine69843-13-643 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-941 % similar 1-Methyl-1H-pyrazole-4-carboxylic acid5952-92-140 % similar (1-Methyl-1H-1,2,4-triazol-3-yl)methanol135242-93-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dimethyl-3-isoxazolamine13999-39-8 Ethyl N-cyanoacetimidate1558-82-3 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1 4-Amino-3,5-dimethylisoxazole31329-64-3

Elsewhere

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