5-Methyl-4-[(1-methylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
기본 정보
- CAS
956949-77-2- 표준 SMILES
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cn(C)c2ccccc12- InChIKey
IUFPWGGGLWBBGI-UHFFFAOYSA-N- 분자식
- C18H19N5O2
- 평균 분자량
- 337.4 g/mol
- 단동위원소 질량
- 337.15387487
이름 및 식별자
- 우선 이름
- 5-Methyl-4-[(1-methylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
- IUPAC
- 5-methyl-4-[(1-methylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
이름 및 동의어
MLS000715645956949-77-2SMR0002771624,4'-[(1-methyl-1H-indol-3-yl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol)ZINC044190025-methyl-4-[(1-methylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-oneCHEMBL1392826BDBM93615cid_3154434DTXSID201130567HMS2626M17STK127102
이름 더 보기
AKOS000364933ST50024390AH-487/42145667SR-01000364692SR-01000364692-13H-Pyrazol-3-one, 4,4a(2)-[(1-methyl-1H-indol-3-yl)methylene]bis[1,2-dihydro-5-methyl-4,4'-[(1-Methyl-1H-indol-3-yl)methylene]bis(5-methyl-1,2-dihydro-3H-pyrazol-3-one)4-[(5-hydroxy-3-methylpyrazol-4-yl)(1-methylindol-3-yl)methyl]-3-methylpyrazol -5-ol
데이터베이스 식별자
- CAS
956949-77-2- PubChem CID
- 3154434
- DTXSID
DTXSID201130567- ChEMBL
CHEMBL1392826
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 87.2 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 643
관련 반응
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