기본 정보
- CAS
522596-09-4- 표준 SMILES
CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccn(Cc5ccccc5F)n4)cc3n2)s1- InChIKey
MVHXYYOQUVRRTJ-UHFFFAOYSA-N- 분자식
- C24H18F4N6OS
- 평균 분자량
- 514.5 g/mol
이름 및 식별자
- 우선 이름
- 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(5-ethyl-2-thienyl)-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C24H18F4N6OS
- 분자량
- 514.4979328
이름 및 동의어
AK-968/41924618AKOS0040059965-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideST50831912[5-(5-ethyl(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2- yl)]-N-{1-[(2-fluorophenyl)methyl]pyrazol-3-yl}carboxamide5-(5-ethyl-2-thienyl)-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide5-(5-ethylthiophen-2-yl)-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
데이터베이스 식별자
- CAS
522596-09-4
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 777
화학 및 산업
공급사1 곳
SPECS[email protected]
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