기본 정보
- 표준 SMILES
Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C- InChIKey
XOZLRRYPUKAKMU-UHFFFAOYSA-N- 분자식
- C14H19N3O
- 평균 분자량
- 245.32 g/mol
- 단동위원소 질량
- 245.15281223
개요
1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-3-pyrazolone is a member of pyrazoles and a ring assembly.
이름 및 식별자
- 우선 이름
- Ramifenazone
- IUPAC
- 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one
이름 및 동의어
Ramifenazone3615-24-5IsopyrineIsopropylaminoantipyrineIsopropylaminophenazoneRamifenazonaRamifenazonumDTXSID1045906GKH2KOV2RF1-Phenyl-2,3-dimethyl-4-isopropylaminopyrazolone1-Phenyl-2,3-dimethyl-4-(isopropylamino)-2-pyrazolin-5-oneNSC-758621
이름 더 보기
DTXCID9025906RefChem:178606222-791-3IsopyrinRamifenazone [INN]1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-oneIsopirina3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-((1-methylethyl)amino)-2-phenyl-
데이터베이스 식별자
- CAS
3615-24-5- PubChem CID
- 5037
- DTXSID
DTXSID1045906- ChEMBL
CHEMBL157337- ChEBI
CHEBI:94776- UNII
- GKH2KOV2RF
- EC Number
- 222-791-3
- Nikkaji
- J8.184A
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 35.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 356
실험 및 물리화학적 성질
Human DrugsPharmaceuticals
Collision Cross Section
165.74 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
156.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
안전 및 규제
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Regulatory Information
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)amino-2-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[(1-methylethyl)amino]-2-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
Use ClassificationPharmaceuticals
관련 반응
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