5-(4-bromophenyl)-3-chloro-N-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
기본 정보
- CAS
489451-94-7- 표준 SMILES
CC(O)c1ccc(NC(=O)c2nn3c(c2Cl)NC(c2ccc(Br)cc2)CC3C(F)(F)F)cc1- InChIKey
MWVVFIGVWPLELB-UHFFFAOYSA-N- 분자식
- C22H19BrClF3N4O2
- 평균 분자량
- 543.8 g/mol
이름 및 식별자
- 우선 이름
- 5-(4-bromophenyl)-3-chloro-N-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-bromophenyl)-3-chloro-N-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(4-bromophenyl)-3-chloro-N-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C22H19BrClF3N4O2
- 분자량
- 543.7640696
이름 및 동의어
5-(4-bromophenyl)-3-chloro-N-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide5-(4-bromophenyl)-3-chloro-N-(4-(1-hydroxyethyl)phenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideSTK959390AKOS003918118AK-968/15360801489451-94-75-(4-BROMOPHENYL)-3-CHLORO-N~2~-[4-(1-HYDROXYETHYL)PHENYL]-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
데이터베이스 식별자
- CAS
489451-94-7
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 79.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 689
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