5-티오펜-2-YL-7-트리플루오로메틸-4,5,6,7-테트라히드로-피라졸로[1,5-A]피리미딘-3-카르복실산에틸에스테르
Ethyl 5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
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기본 정보
- CAS
827592-52-9- 표준 SMILES
CCOC(=O)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F- InChIKey
UVQSZHQDXPVLBG-UHFFFAOYSA-N- 분자식
- C14H14F3N3O2S
- 평균 분자량
- 345.34 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
- IUPAC
- ethyl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
- 현지명
- 5-티오펜-2-YL-7-트리플루오로메틸-4,5,6,7-테트라히드로-피라졸로[1,5-A]피리미딘-3-카르복실산에틸에스테르
- 영어명
- 5-THIOPHEN-2-YL-7-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
- 분자식
- C14H14F3N3O2S
- 분자량
- 345.34
이름 및 동의어
827592-52-9ethyl 5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylateethyl 5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylateethyl 5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylateMFCD04967332ethyl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylatepyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5,6,7-tetrahydro-5-(2-thienyl)-7-(trifluoromethyl)-, ethyl esterALBB-010022SBB021321STK303216AKOS000305750ETHYL 5-THIEN-2-YL-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
이름 더 보기
5-티오펜-2-YL-7-트리플루오로메틸-4,5,6,7-테트라히드로-피라졸로[1,5-A]피리미딘-3-카르복실산에틸에스테르AKOS B016193ART-CHEM-BB B016193ethyl 5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3Ethyl 5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxyl
LS-03410CS-0298911EN300-229035H254845-thiophen-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid eth5-Thiophen-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl esterethyl 5-(2-thienyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazape rhydroine-3-carboxylateethyl5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
데이터베이스 식별자
- CAS
827592-52-9
물성
구조 계산 물성보충 중
- XLogP
- 3.2
- 극성 표면적
- 84.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 451
물리화학적 성질
- 끓는 점
- 469.9 · 469.9±45.0 °C(Predicted)
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.83 · 0.83±0.60(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 위험 등급
- IRRITANT
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