5-(4-bromophenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
기본 정보
- CAS
438531-86-3- 표준 SMILES
O=C(Nc1ccccc1C(F)(F)F)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2- InChIKey
SABGQIHZGDWMKN-UHFFFAOYSA-N- 분자식
- C21H15BrF6N4O
- 평균 분자량
- 533.3 g/mol
이름 및 식별자
- 우선 이름
- 5-(4-bromophenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-bromophenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(4-bromophenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C21H15BrF6N4O
- 분자량
- 533.2644192
이름 및 동의어
5-(4-bromophenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide5-(4-bromophenyl)-7-(trifluoromethyl)-N-(2-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/15363648STK959372AKOS003919299438531-86-35-(4-BROMOPHENYL)-7-(TRIFLUOROMETHYL)-N~2~-[2-(TRIFLUOROMETHYL)PHENYL]-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
데이터베이스 식별자
- CAS
438531-86-3
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 59 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 699
관련 반응
0건
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