5-(5-chlorothiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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기본 정보
- CAS
522596-93-6- 표준 SMILES
CCn1ncc(CN(C)C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)c1C- InChIKey
YMRCNAMJTWCFRZ-UHFFFAOYSA-N- 분자식
- C20H18ClF3N6OS
- 평균 분자량
- 482.9 g/mol
- 단동위원소 질량
- 482.0903426
이름 및 식별자
- 우선 이름
- 5-(5-chlorothiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(5-chlorothiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(5-chloro-2-thienyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C20H18ClF3N6OS
- 분자량
- 482.9097296
이름 및 동의어
AK-968/41924343STK449752AKOS0032894795-(5-chlorothiophen-2-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideST50832146[5-(5-chloro(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2 -yl)]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylcarboxamide5-(5-chloro-2-thienyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide5-(5-chlorothiophen-2-yl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide522596-93-6
데이터베이스 식별자
- CAS
522596-93-6- PubChem CID
- 999638
물성
구조 계산 물성보충 중
- XLogP
- 3.9
- 극성 표면적
- 96.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 690
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