기본 정보
- CAS
1174857-49-8- 표준 SMILES
Cc1ccc(Cn2cc(Br)c(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)cc1- InChIKey
MLEPAJDVDXDWEJ-UHFFFAOYSA-N- 분자식
- C19H15BrF3N5OS
- 평균 분자량
- 498.3 g/mol
- 단동위원소 질량
- 497.01328
이름 및 식별자
- 우선 이름
- N-(4-Bromo-1-((4-methylphenyl)methyl)-1H-pyrazol-3-yl)-1-methyl-3-(trifluoromethyl)-1H-thieno(2,3-c)pyrazole-5-carboxamide
- IUPAC
- N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
이름 및 동의어
1174857-49-8N-[4-Bromo-1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamideN-(4-Bromo-1-((4-methylphenyl)methyl)-1H-pyrazol-3-yl)-1-methyl-3-(trifluoromethyl)-1H-thieno(2,3-c)pyrazole-5-carboxamideN-{4-bromo-1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamideRefChem:361757N-[4-bromo-1-(4-methylbenzyl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamideDTXSID201104459STL404788AKOS024293105N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carboxamide
데이터베이스 식별자
- CAS
1174857-49-8- PubChem CID
- 29096816
- DTXSID
DTXSID201104459
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 93 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 636
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