3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde

C₁₂H₁₂N₂OCAS 22042-79-1200.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂N₂O
Molar mass: 200.24 g/mol
Exact mass: 200.0950 Da
Melting point: 128 °C
logP: 2.30Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% 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, 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

22042-79-1

SMILES

Cc1nn(-c2ccccc2)c(C)c1C=O

InChIKey

VOMRTQQGXWPTJK-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

6 names

1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde
3,5-Dimethyl-1-phenyl-4-formylpyrazole
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
3,5-Dimethyl-1-phenylpyrazole-4-carbaldehyde

Work with 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde

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

5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde947-95-568 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde2644-93-151 % similar 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid61226-19-551 % similar 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde950-81-245 % similar 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carboxaldehyde83-18-142 % similar 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-940 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde27006-76-438 % similar 1-Phenyl-1H-pyrazole-4-carbaldehyde54605-72-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4′-Diaminodiphenyl ether101-80-4 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one122852-75-9 3,3′-Oxydianiline15268-07-2 2-Amino-3-benzyloxypyridine24016-03-3 3,4′-Diaminodiphenyl ether2657-87-6 1-Naphthaleneacethydrazide34800-90-3 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-3 2-(1-Naphthyl)acetamidoxime66611-51-6

Elsewhere

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