기본 정보
- CAS
496835-06-4- 표준 SMILES
COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4ccc(-n5cccn5)cc4)cc3N2)cc1OC- InChIKey
SRVXTZBZSVMUKE-UHFFFAOYSA-N- 분자식
- C27H27F3N6O3
- 평균 분자량
- 540.5 g/mol
- 단동위원소 질량
- 540.20967323
이름 및 식별자
- 우선 이름
- 5-(3,4-dimethoxyphenyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(3,4-dimethoxyphenyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C27H27F3N6O3
- 분자량
- 540.5368896
이름 및 동의어
5-(3,4-dimethoxyphenyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/41169695STL399472AKOS003291661496835-06-45-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide5-(3,4-dimethoxyphenyl)-N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideN-(4-(1H-pyrazol-1-yl)benzyl)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
데이터베이스 식별자
- CAS
496835-06-4- PubChem CID
- 3572667
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 86.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 829
화학 및 산업
공급사1 곳
SPECS[email protected]
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