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

HCID 67159458CAS 1128268-23-4

기본 정보

표준 SMILES
CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3OC)n2)c1C(F)(F)F
InChIKey
VZBZAPAPDJWLOV-UHFFFAOYSA-N
분자식
C20H18F3N3O3
평균 분자량
405.4 g/mol
단동위원소 질량
405.1300261

이름 및 식별자

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

이름 및 동의어

1128268-23-4Ethyl 1-[6-(2-methoxy-5-methylphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl 1-(6-(2-methoxy-5-methylphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1782185DTXSID401108776DB-3850081H-Pyrazole-4-carboxylic acid, 1-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)-, ethyl ester

데이터베이스 식별자

CAS
1128268-23-4
PubChem CID
67159458
DTXSID
DTXSID401108776

물성

구조 계산 물성

XLogP
4.3
극성 표면적
66.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
29

관련 반응

5건

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