1-(4-Fluoro-3-cyanophenyl)-3-trifluoromethyl-5-hydroxymethylpyrazole

HCID 22280740

기본 정보

표준 SMILES
N#Cc1cc(-n2nc(C(F)(F)F)cc2CO)ccc1F
InChIKey
ONFMCPUNGTZGAN-UHFFFAOYSA-N
분자식
C12H7F4N3O
평균 분자량
285.2 g/mol

이름 및 식별자

우선 이름
1-(4-Fluoro-3-cyanophenyl)-3-trifluoromethyl-5-hydroxymethylpyrazole
IUPAC
2-fluoro-5-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile

이름 및 동의어

1-(4-fluoro-3-cyanophenyl)-3-trifluoromethyl-5-hydroxymethylpyrazoleSCHEMBL38303251-(3-cyano-4-fluoro-phenyl)-3-trifluoromethyl-5-hydroxymethyl pyrazole1-(3-cyano-4-fluoro-phenyl)-3-trifluoromethyl-5-hydroxymethylpyrazole1-(3-cyano-4-fluorophenyl)-3-trifluoromethyl-5-hydroxymethyl pyrazole1-(4-fluoro-3-cyanophenyl)-3-trifluoromethyl-5-hydroxymethyl pyrazole

데이터베이스 식별자

PubChem CID
22280740

물성

구조 계산 물성

XLogP
1.8
극성 표면적
61.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
20

관련 반응

18건

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