기본 정보
- 표준 SMILES
O=C(NCc1cccs1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1- InChIKey
PZFZHANHIITFCD-UHFFFAOYSA-N- 분자식
- C19H12BrF3N4OS
- 평균 분자량
- 481.3 g/mol
이름 및 식별자
- 우선 이름
- 5-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
이름 및 동의어
5-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideSCHEMBL1718372STL401367AKOS001690951ST042055AK-968/12024099[5-(4-bromophenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]- N-(2-thienylmethyl)carboxamide5-(4-bromo-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (thiophen-2-ylmethyl)-amide5-(4-bromophenyl)-N-(2-thienylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide5-(4-BROMOPHENYL)-N-[(THIOPHEN-2-YL)METHYL]-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
데이터베이스 식별자
- PubChem CID
- 1220676
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 87.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 590
관련 반응
3건
화합물 노트
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