1,2-dihydro-4-((4-(methylthio)phenyl)methyl)-5-(trifluoromethyl)-3H-pyrazol-3-one

HCID 9860728

기본 정보

표준 SMILES
CSc1ccc(Cc2c(C(F)(F)F)[nH][nH]c2=O)cc1
InChIKey
OSDLDYCKEYCPPZ-UHFFFAOYSA-N
분자식
C12H11F3N2OS
평균 분자량
288.29 g/mol

이름 및 식별자

우선 이름
1,2-dihydro-4-((4-(methylthio)phenyl)methyl)-5-(trifluoromethyl)-3H-pyrazol-3-one
IUPAC
4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

이름 및 동의어

RefChem:9067211,2-dihydro-4-((4-(methylthio)phenyl)methyl)-5-(trifluoromethyl)-3H-pyrazol-3-oneCHEMBL750991,2-dihydro-4-[[4-methylthiophenyl]methyl]-5-trifluoromethyl-3H-pyrazol-3oneorb1694878SCHEMBL2050121SCHEMBL12589061GLXC-02201BDBM50559515AKOS0305449901,2-dihydro-4-[(4-methylthiophenyl)-methyl]-5-trifluoromethyl-3h-pyrazol-3-one1,2-dihydro-4-[(4-methylthiophenyl)methyl]-5-trifluoromethyl-3h-pyrazol-3-one
이름 더 보기
1,2-Dihydro-4-[[4-(methylthio)phenyl]methyl]-5-(trifluoromethyl)-3H- pyrazol-3-one

데이터베이스 식별자

PubChem CID
9860728
ChEMBL
CHEMBL75099
Nikkaji
J768.958F

물성

구조 계산 물성

XLogP
3.1
극성 표면적
66.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
19

관련 반응

7건

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