3-bromo-N-(1-phenylethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
기본 정보
- CAS
357293-34-6- 표준 SMILES
CC(NC(=O)c1nn2c(c1Br)NC(c1cccs1)CC2C(F)(F)F)c1ccccc1- InChIKey
SSJBPYBBMIVHEH-UHFFFAOYSA-N- 분자식
- C20H18BrF3N4OS
- 평균 분자량
- 499.3 g/mol
이름 및 식별자
- 우선 이름
- 3-bromo-N-(1-phenylethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-bromo-N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-bromo-N-(1-phenylethyl)-5-thien-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C20H18BrF3N4OS
- 분자량
- 499.35
이름 및 동의어
3-bromo-N-(1-phenylethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-bromo-N-(1-phenylethyl)-5-thien-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideChemDiv1_004133HMS598L19STK343194AKOS000559922AKOS022063641CCG-106936ST50705528AE-848/14138048SR-01000436731SR-01000436731-1
이름 더 보기
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-4,5,6,7-tetrahydro-N-(1-phenylethyl)-5-(2-thienyl)-7-(trifluoromethyl)-
[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diaz aperhydroin-2-yl)]-N-(phenylethyl)carboxamide3-bromo-N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
데이터베이스 식별자
- CAS
357293-34-6
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 87.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 621
물리화학적 성질
- 끓는 점
- 602.3 · 602.3±55.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.81 · 12.81±0.60(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…