기본 정보
- CAS
522596-98-1- 표준 SMILES
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1- InChIKey
SELQMNZZDINOCU-UHFFFAOYSA-N- 분자식
- C24H17ClF4N6OS
- 평균 분자량
- 548.9 g/mol
- 단동위원소 질량
- 548.0809207
이름 및 식별자
- 우선 이름
- 5-(5-chlorothiophen-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(5-chlorothiophen-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(5-chloro-2-thienyl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C24H17ClF4N6OS
- 분자량
- 548.9429928
이름 및 동의어
5-(5-chlorothiophen-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide5-(5-chloro-2-thienyl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/41924591STK450082AKOS003289755ST50831990[5-(5-chloro(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2 -yl)]-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}carboxamide5-(5-chlorothiophen-2-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide522596-98-1
데이터베이스 식별자
- CAS
522596-98-1- PubChem CID
- 1000262
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 821
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…