1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid

HCID 53393430

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

관련 반응

20건

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