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

HCID 742041CAS 69722-29-8

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기본 정보

표준 SMILES: CCOC(=O)c1cnn(-c2ccccn2)c1N
InChIKey: UPTKQJLYDVZTKJ-UHFFFAOYSA-N
분자식: C11H12N4O2
평균 분자량: 232.24 g/mol
단동위원소 질량: 232.09602562

개요

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

이름 및 식별자

우선 이름: ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
IUPAC: ethyl 5-amino-1-pyridin-2-ylpyrazole-4-carboxylate
영어명: ETHYL 5-AMINO-1-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLATE
분자식: C11H12N4O2
분자량: 232.24

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 83 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 274

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

안전 및 규제

GHS 분류

GHS Classification · 4건

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.