기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCO)C1- InChIKey
VHWRIHRIBNAHGV-UHFFFAOYSA-N- 분자식
- C21H26F3N3O3
- 평균 분자량
- 425.4 g/mol
이름 및 식별자
- 우선 이름
- 1-(3-Hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
이름 및 동의어
1-(3-hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl esterSCHEMBL29698731-(3-Hydroxy-propyl)-3-(4-trifluoromethyl-phenyl )-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester1-(3-Hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro -pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester1-(3-Hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro- pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester1-(3-Hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester1-(3-hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydropyrazolo [4,3-c]pyridine-5-carboxylic acid tert-butyl ester1-(3-hydroxy-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydropyrazolo-[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 68461192
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 67.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 588
관련 반응
20건
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