5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
기본 정보
- CAS
490013-21-3- 표준 SMILES
Cc1nn(Cc2ccc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)c(Cl)c4)c3C)o2)c(C)c1Br- InChIKey
LMJZICPEQPFOJX-UHFFFAOYSA-N- 분자식
- C23H22BrCl2N5O2
- 평균 분자량
- 551.3 g/mol
- 단동위원소 질량
- 549.03339
이름 및 식별자
- 우선 이름
- 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
- IUPAC
- 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
- 영어명
- 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-furamide
- 분자식
- C23H22BrCl2N5O2
- 분자량
- 551.26308
이름 및 동의어
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamideAKOS003926297AK-968/15363655490013-21-35-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-furamide5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]furan-2-carboxamide5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}furan-2-carboxamide
데이터베이스 식별자
- CAS
490013-21-3- PubChem CID
- 1002744
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 77.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 693
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