기본 정보
- CAS
490013-22-4- 표준 SMILES
COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)Nc4c(C)nn(Cc5cccc(Oc6ccccc6)c5)c4C)cc3N2)cc1OC- InChIKey
RSNUYEUELWTCIB-UHFFFAOYSA-N- 분자식
- C34H33F3N6O4
- 평균 분자량
- 646.7 g/mol
- 단동위원소 질량
- 646.25153804
이름 및 식별자
- 우선 이름
- 5-(3,4-dimethoxyphenyl)-N-(3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C34H33F3N6O4
- 분자량
- 646.6588296
이름 및 동의어
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/15363663AKOS003272993490013-22-45-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide5-(3,4-dimethoxyphenyl)-N-{3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
데이터베이스 식별자
- CAS
490013-22-4- PubChem CID
- 3382707
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,040
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