5-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid

HCID 2769583

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Basic information

CAS: 288251-47-8
Standard SMILES: Cc1ccc(-n2ncc(C(=O)O)c2C)cc1
InChIKey: YLLKMSOYYAPTFG-UHFFFAOYSA-N
Molecular formula: C12H12N2O2
Average molar mass: 216.24 g/mol
Monoisotopic mass: 216.08987763

Names & identifiers

Preferred name: 5-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
IUPAC: 5-methyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid
English name: 5-Methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
Molecular formula: C12H12N2O2
Molecular weight: 216.24

Names & synonyms

288251-47-85-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acidDTXSID90377773RefChem:303933DTXCID90328801651-407-05-methyl-1-(4-methylphenyl)pyrazole-4-carboxylic Acid5-Methyl-1-(p-tolyl)-1H-pyrazole-4-carboxylic acidMFCD041227575-Methyl-1-p-tolyl-1H-pyrazole-4-carboxylic acidSCHEMBL6052256YLLKMSOYYAPTFG-UHFFFAOYSA-N

Show more names

OTAVA-BB 1218875BUTTPARK 182\18-801H-Pyrazole-4-carboxylic acid, 5-methyl-1-(4-methylphenyl)-

SBB095278AKOS000141433SY063880CS-0215747EN300-29782G305975-methyl-1-(p-tolyl)pyrazole-4-carboxylic acid5-Methyl-1-(p-tolyl)-1H-pyrazole-4-carboxylicacid

Database identifiers

CAS: 288251-47-8
PubChem CID: 2769583
DTXSID: DTXSID90377773
EC Number: 651-407-0

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 262

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313