1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid

HCID 43565362

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Basic information

CAS: 1105039-93-7
Standard SMILES: COc1ccc(Cn2cc(C(=O)O)cn2)cc1
InChIKey: JMWJJDKQQMMJRG-UHFFFAOYSA-N
Molecular formula: C12H12N2O3
Average molar mass: 232.23 g/mol

Names & identifiers

Preferred name: 1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid
IUPAC: 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
English name: 1-(4-Methoxy-benzyl)-1H-pyrazole-4-carboxylic acid
Molecular formula: C12H12N2O3
Molecular weight: 232.24

Names & synonyms

1105039-93-71-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid1-((4-methoxyphenyl)methyl)-1H-pyrazole-4-carboxylic acidRefChem:418695866-162-71-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylic acidMFCD084569281-(4-Methoxy-benzyl)-1H-pyrazole-4-carboxylic acid1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylicacidPiraxostat Impurity 36SCHEMBL369349

Show more names

182708Piraxostat Impurity 361H-Pyrazole-4-carboxylic acid, 1-[(4-methoxyphenyl)methyl]-

JMWJJDKQQMMJRG-UHFFFAOYSA-NFUB03993AKOS009585478DS-10017SY104416DB-328591CS-0150392EN300-73681

Database identifiers

CAS: 1105039-93-7
PubChem CID: 43565362
EC Number: 866-162-7

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 264

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.