기본 정보
- CAS
512824-50-9- 표준 SMILES
CC1=NN(C(=O)c2ccc(Cn3nc(C)cc3C)o2)C(O)(C(F)(F)F)C1- InChIKey
YMFREOZEWZRHIZ-UHFFFAOYSA-N- 분자식
- C16H17F3N4O3
- 평균 분자량
- 370.33 g/mol
이름 및 식별자
- 우선 이름
- [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
- IUPAC
- [5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
- 영어명
- 1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- 분자식
- C16H17F3N4O3
- 분자량
- 370.3263896
이름 및 동의어
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olMLS000324608CHEMBL1433275HMS2460K03STK302426AKOS003762613SMR000160119AK-968/41923416{5-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}[5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]METHANONE512824-50-9
데이터베이스 식별자
- CAS
512824-50-9- ChEMBL
CHEMBL1433275
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 600
화학 및 산업
공급사1 곳
SPECS[email protected]
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