기본 정보
- CAS
332858-90-9- 표준 SMILES
Cc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3N2)cc1- InChIKey
VXAVQJDQPAVANR-UHFFFAOYSA-N- 분자식
- C25H25F4N5O
- 평균 분자량
- 487.5 g/mol
이름 및 식별자
- 우선 이름
- 3-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
- IUPAC
- [4-(4-fluorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
- 영어명
- 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
- 분자식
- C25H25F4N5O
- 분자량
- 487.49
이름 및 동의어
CBMicro_0145016069-97-2[4-(4-fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidineDTXSID20417439SMSF0013032STL330524AKOS001622493AKOS022130123CB12173[4-(4-Fluorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanoneBIM-0014604.P001
이름 더 보기
Methanone, [4-(4-fluorophenyl)-1-piperazinyl][4,5,6,7-tetrahydro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-
NS00096050AE-848/14138178(4-(4-fluorophenyl)piperazin-1-yl)(5-(p-tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone[4-(4-Fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 53.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 730
물리화학적 성질
- 끓는 점
- 657.8 · 657.8±55.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.81 · 2.81±0.10(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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