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
- 형식 전하
- 0
- 복잡도
- 387
관련 반응
7건
연결된 노트
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