2-methyl-N~1~-{[3-methyl-5-(4-methylpiperazino)-1-phenyl-1H-pyrazol-4-yl]methyl}-N~1~-propylbenzamide
기본 정보
- CAS
1185100-64-4- 표준 SMILES
CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1ccccc1C- InChIKey
BCSIETZNLOZFHX-UHFFFAOYSA-N- 분자식
- C27H35N5O
- 평균 분자량
- 445.6 g/mol
- 단동위원소 질량
- 445.28416076
이름 및 식별자
- 우선 이름
- 2-methyl-N~1~-{[3-methyl-5-(4-methylpiperazino)-1-phenyl-1H-pyrazol-4-yl]methyl}-N~1~-propylbenzamide
- IUPAC
- 2-methyl-N-[[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
이름 및 동의어
1185100-64-42-METHYL-N-{[3-METHYL-5-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYL}-N-PROPYLBENZAMIDE2-methyl-N~1~-{[3-methyl-5-(4-methylpiperazino)-1-phenyl-1H-pyrazol-4-yl]methyl}-N~1~-propylbenzamideDTXSID201114450AKOS0218196532-methyl-N-[[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide2-Methyl-N-[[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl]-N-propylbenzamide
데이터베이스 식별자
- CAS
1185100-64-4- PubChem CID
- 46078868
- DTXSID
DTXSID201114450
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 44.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 616
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