ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate

HCID 742041

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Basic information

CAS: 69722-29-8
Standard SMILES: CCOC(=O)c1cnn(-c2ccccn2)c1N
InChIKey: UPTKQJLYDVZTKJ-UHFFFAOYSA-N
Molecular formula: C11H12N4O2
Average molar mass: 232.24 g/mol
Monoisotopic mass: 232.09602562

Overview

5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl ester is a pyrazolopyridine.

Names & identifiers

Preferred name: ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
IUPAC: ethyl 5-amino-1-pyridin-2-ylpyrazole-4-carboxylate
English name: ETHYL 5-AMINO-1-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLATE
Molecular formula: C11H12N4O2
Molecular weight: 232.24

Names & synonyms

69722-29-8ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylateDTXSID40353466RefChem:344236DTXCID90304529877-796-9ethyl 5-amino-1-pyridin-2-ylpyrazole-4-carboxylateMFCD01124472ethyl 5-amino-1-pyridin-2-yl-1H-pyrazole-4-carboxylate1H-PYRAZOLE-4-CARBOXYLIC ACID, 5-AMINO-1-(2-PYRIDINYL)-, ETHYL ESTERMLS000057957ethyl 5-amino-1-(2-pyridyl)pyrazole-4-carboxylate

Show more names

Ethyl 5-amino-1-(pyridin-2-yl)

5-Amino-1-(2-pyridinyl)1H-pyrazole-4-carboxylic acid ethyl esterEthyl 5-amino-1-(pyridin-2-yl);-1H-pyrazole-4-carboxylateSMR000062262ETHYL 5-AMINO-1-(2-PYRIDINYL)-1H-PYRAZOLE-4-CARBOXYLATEF0238-03435-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl estercid_742041IFLab1_000838

Database identifiers

CAS: 69722-29-8
PubChem CID: 742041
DTXSID: DTXSID40353466
ChEMBL: CHEMBL1348548
ChEBI: CHEBI:120411
EC Number: 877-796-9

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 83 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 274

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

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.