4-Bromo-1-methyl-1H-pyrazole

C₄H₅BrN₂CAS 15803-02-8161.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅BrN₂
Molar mass: 161.00 g/mol
Exact mass: 159.9636 Da
Boiling point: 76–78 °C (at 18 Torr)
logP: 1.18Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation97.8% of notifiers
H318 Causes serious eye damage95.7% of notifiers
H335 May cause respiratory irritation95.7% 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, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15803-02-8

SMILES

Cn1cc(Br)cn1

InChIKey

IXJSDKIJPVSPKF-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names

1H-Pyrazole, 4-bromo-1-methyl-
Pyrazole, 4-bromo-1-methyl-
4-Bromo-1-methylpyrazole
1-Methyl-4-bromopyrazole

Work with 4-Bromo-1-methyl-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

1,4-Dimethylpyrazole1072-68-050 % similar 1-Methyl-4-iodo-1H-pyrazole39806-90-148 % similar 1-Methyl-1H-pyrazol-4-ylamine69843-13-648 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-945 % similar (1-Methyl-1H-pyrazol-4-yl)methanol112029-98-843 % similar (1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-743 % similar 1-Methyl-4-nitro-1H-pyrazole3994-50-139 % similar 1-Methyl-1H-pyrazole-4-carboxylic acid5952-92-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1-methyl-1H-imidazole1003-21-0 4-Bromo-3-methyl-1H-pyrazole13808-64-5 1H-Pyrazole,3-bromo-1-methyl-(9ci)151049-87-5 5-Bromo-2-methyl-1H-imidazole16265-11-5 2-Bromo-1-methyl-1H-imidazole16681-59-7 4-Bromo-1-methyl-1H-imidazole25676-75-9 1H-Pyrazole,5-bromo-1-methyl-(9ci)361476-01-9 3-Bromo-5-methyl-1H-pyrazole57097-81-1

Elsewhere

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