기본 정보
- 표준 SMILES
Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl- InChIKey
VCJFAZFEDNUPMX-UHFFFAOYSA-N- 분자식
- C21H19ClF3N5O2
- 평균 분자량
- 465.9 g/mol
이름 및 식별자
- 우선 이름
- 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
- IUPAC
- 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
이름 및 동의어
1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamideCHEMBL425573SCHEMBL1380391SCHEMBL293934341-(3-Chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)- amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide1-(3-Chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)-amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide1-(3-chloro-2-pyridinyl)-n-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]-phenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
데이터베이스 식별자
- PubChem CID
- 10298587
- ChEMBL
CHEMBL425573- Nikkaji
- J2.346.333D
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 88.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 680
관련 반응
7건
화합물 노트
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