(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-(4-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
기본 정보
- 표준 SMILES
C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccc(F)cc2)n1- InChIKey
OBKZLZJVTIMKAY-PXAZEXFGSA-N- 분자식
- C22H18F4N4O3
- 평균 분자량
- 462.4 g/mol
이름 및 식별자
- 우선 이름
- (3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-(4-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
- IUPAC
- (3R,4R)-N-[1-(4-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
이름 및 동의어
(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-(4-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amideCHEMBL3686357SCHEMBL14749779SCHEMBL30641989BDBM132736US8846746, 2(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid [1-(4-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
데이터베이스 식별자
- PubChem CID
- 71287729
- ChEMBL
CHEMBL3686357
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 85.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 716
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