ethyl 1-(3-chloro-2-pyridinyl)-4,5-dihydro-3-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazole-5-carboxylate

HCID 22280356

기본 정보

표준 SMILES
CCOC(=O)C1CC(OS(=O)(=O)c2ccc(C)cc2)=NN1c1ncccc1Cl
InChIKey
LPULNPVBYGZJMG-UHFFFAOYSA-N
분자식
C18H18ClN3O5S
평균 분자량
423.9 g/mol

이름 및 식별자

우선 이름
ethyl 1-(3-chloro-2-pyridinyl)-4,5-dihydro-3-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazole-5-carboxylate
IUPAC
ethyl 2-(3-chloro-2-pyridinyl)-5-(4-methylphenyl)sulfonyloxy-3,4-dihydropyrazole-3-carboxylate

이름 및 동의어

SCHEMBL1581697SCHEMBL30713039LPULNPVBYGZJMG-UHFFFAOYSA-Nethyl 1-(3-chloro-2-pyridinyl)-4,5-dihydro-3-[[(4-methyl-phenyl)sulfonyl]oxy]-1H-pyrazole-5-carboxylateethyl 1-(3-chloro-2-pyridinyl)-4,5-dihydro-3-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazole-5-carboxylate

데이터베이스 식별자

PubChem CID
22280356

물성

구조 계산 물성

XLogP
3.6
극성 표면적
107 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
28

관련 반응

25건

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