기본 정보
- CAS
309940-75-8- 표준 SMILES
O=C(NCC1CCCO1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl- InChIKey
QJGLQFUVLCTTKD-UHFFFAOYSA-N- 분자식
- C17H14ClF3N4O2S
- 평균 분자량
- 430.8 g/mol
이름 및 식별자
- 우선 이름
- 3-chloro-N-(tetrahydro-2-furanylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-chloro-N-(oxolan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-chloro-N-(tetrahydro-2-furanylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C17H14ClF3N4O2S
- 분자량
- 430.83
이름 및 동의어
3-chloro-N-(oxolan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-N-(tetrahydro-2-furanylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideQJGLQFUVLCTTKD-UHFFFAOYSA-NMLS001218954SCHEMBL1718334CHEMBL1588785HMS2918D24CCG-2881STK342839AKOS000560872AKOS022074795SMR000607896
이름 더 보기
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-[(tetrahydro-2-furanyl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)-
ST50687952AB00092814-01AG-690/11156224SR-01000550788SR-01000550788-1[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2- yl)]-N-(oxolan-2-ylmethyl)carboxamide3-Chloro-5-thiophen-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide3-chloro-N-((tetrahydrofuran-2-yl)methyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 96.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 587
물리화학적 성질
- 밀도
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.28 · 8.28±0.46(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…