Ethyl 1-(6-(2-hydroxy-5-methylphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

HCID 136017878

기본 정보

표준 SMILES
CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3O)n2)c1C(F)(F)F
InChIKey
NPFQYGXZTDQRDK-UHFFFAOYSA-N
분자식
C19H16F3N3O3
평균 분자량
391.3 g/mol
단동위원소 질량
391.11437587

이름 및 식별자

우선 이름
Ethyl 1-(6-(2-hydroxy-5-methylphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
IUPAC
ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

이름 및 동의어

1128268-25-6Ethyl 1-(6-(2-hydroxy-5-methylphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateEthyl 1-[6-(2-Hydroxy-5-methylphenyl)-2-pyridyl]-5-(trifluoromethyl)pyrazole-4-carboxylateEthyl 1-[6-(2-hydroxy-5-methylphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1781519IRXDADDJCYNAQT-UHFFFAOYSA-NDB-400877

데이터베이스 식별자

PubChem CID
136017878

물성

구조 계산 물성

XLogP
4
극성 표면적
77.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
28

관련 반응

5건

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