기본 정보
- CAS
332853-13-1- 표준 SMILES
Cc1c(NC(=O)c2nn3c(c2Cl)NC(c2cccs2)CC3C(F)(F)F)c(=O)n(-c2ccccc2)n1C- InChIKey
URSZXVLJUHJOLU-UHFFFAOYSA-N- 분자식
- C23H20ClF3N6O2S
- 평균 분자량
- 537 g/mol
- 단동위원소 질량
- 536.1009073
이름 및 식별자
- 우선 이름
- 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C23H20ClF3N6O2S
- 분자량
- 536.96
이름 및 동의어
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideCBMicro_011795ChemDiv1_004047HMS598H21SMSF0013510STL330308AKOS000559487AKOS022112052CB14987BIM-0011727.P001ST50730572
이름 더 보기
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-5-(2-thienyl)-7-(trifluoromethyl)-
AK-968/15359173SR-01000436783SR-01000436783-13-CHLORO-N-(1,5-DIMETHYL-3-OXO-2-PHENYLPYRAZOL-4-YL)-5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide332853-13-1
데이터베이스 식별자
- CAS
332853-13-1- PubChem CID
- 2884914
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 917
물리화학적 성질
- 밀도
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.67 · 9.67±0.20(Predicted)
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