기본 정보
- 표준 SMILES
Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(C2CC2)c1C(=O)N1CCC(N2CCC[C@H]2CO)CC1- InChIKey
ISMRDYMSYGCNKJ-FQEVSTJZSA-N- 분자식
- C25H31F3N4O3
- 평균 분자량
- 492.5 g/mol
이름 및 식별자
- 우선 이름
- 5-Cyclopropyl-3-methyl-1-(4-trifluoromethoxy-phenyl)-1H-pyrazol-4-yl-[4-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-methanone
- IUPAC
- [5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
이름 및 동의어
SCHEMBL2198696[5-cyclopropyl-3-methyl-1-(4-trifluoromethoxy-phenyl)-1h-pyrazol-4-yl]-[4-((s)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-methanone5-Cyclopropyl-3-methyl-1-(4-trifluoromethoxy-phenyl)-1H-pyrazol-4-yl -[4-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-methanone5-Cyclopropyl-3-methyl-1-(4-trifluoromethoxy-phenyl)-1H-pyrazol-4-yl-[4-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-methanone
데이터베이스 식별자
- PubChem CID
- 57555090
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 70.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 736
관련 반응
1건
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