기본 정보
- 표준 SMILES
Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1CC(C)(C)O- InChIKey
JFOCTAMIXFTZBB-UHFFFAOYSA-N- 분자식
- C15H18N2O4
- 평균 분자량
- 290.31 g/mol
- 단동위원소 질량
- 290.12665706
이름 및 식별자
- 우선 이름
- 1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid
- IUPAC
- 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid
이름 및 동의어
913376-56-41-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic AcidMFCD171713811-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acidSCHEMBL200546JFOCTAMIXFTZBB-UHFFFAOYSA-NAKOS0159039511-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylicAcidCS-11221SY010459DB-078992
이름 더 보기
CS-0315408F3870621-(2-hydroxy-2-methyl-propyl)-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxylic acid1-(2-hydroxy-2-methyl-propyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid, SureCN200546, CTK8E1584, AKOS015903951, KB-108976, I14-17681, 913376-56-41-(2-hydroxy-2-methylpropyl)5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 53393430
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 81.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 478
관련 반응
20건
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