기본 정보
- 표준 SMILES
CCOC(=O)c1c(C)nn(-c2ccc(C)cc2)c1C- InChIKey
QKYTXDOYQSTMNM-UHFFFAOYSA-N- 분자식
- C15H18N2O2
- 평균 분자량
- 258.32 g/mol
이름 및 식별자
- 우선 이름
- ethyl 3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-carboxylate
이름 및 동의어
103409-93-4ethyl 3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylateethyl 3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-carboxylateSCHEMBL6070059QKYTXDOYQSTMNM-UHFFFAOYSA-NMFCD05974910AKOS005076699SR-0100030750810X-0816SR-01000307508-1ethyl 3,5-dimethyl-1-(p-tolyl)pyrazole-4-carboxylateEthyl 3,5-dimethyl-1-(p-tolyl)-1H-pyrazole-4-carboxylate
이름 더 보기
3,5-dimethyl-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl esterethyl3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
데이터베이스 식별자
- PubChem CID
- 2766289
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 44.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 313
관련 반응
2건
화합물 노트
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