[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-phenylphenyl)methanone
기본 정보
- CAS
303133-65-5- 표준 SMILES
CCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)C(O)(C(F)(F)F)C1- InChIKey
FVSSJJBAVKFWLN-UHFFFAOYSA-N- 분자식
- C19H17F3N2O2
- 평균 분자량
- 362.3 g/mol
이름 및 식별자
- 우선 이름
- [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-phenylphenyl)methanone
- IUPAC
- [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-phenylphenyl)methanone
- 영어명
- 1-([1,1'-biphenyl]-4-ylcarbonyl)-3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- 분자식
- C19H17F3N2O2
- 분자량
- 362.35
이름 및 동의어
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-phenylphenyl)methanonebiphenyl-4-yl[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanoneChemDiv1_007410HMS608A18STK396759AKOS000593639AKOS021996011ST50236848AG-690/370791153-ethyl-5-hydroxy-5-(trifluoromethyl)(2-pyrazolinyl) 4-phenylphenyl ketone1-([1,1'-biphenyl]-4-ylcarbonyl)-3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol[1,1'-biphenyl]-4-yl(3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
이름 더 보기
Methanone, [1,1'-biphenyl]-4-yl[3-ethyl-4,5-dihydro-5-hydroxy-5-(trifluoromethyl)-1H-pyrazol-1-yl]-
1-{[1,1'-BIPHENYL]-4-CARBONYL}-3-ETHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-5-OL303133-65-5
데이터베이스 식별자
- CAS
303133-65-5
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 52.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 549
물리화학적 성질
- 끓는 점
- 476.3 · 476.3±55.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.46 · 9.46±0.40(Predicted)
관련 반응
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