기본 정보
- CAS
956624-64-9- 표준 SMILES
Cc1ccc(CNC(=O)CNC(=O)c2c(-c3ccccc3)nn(C)c2Cl)cc1- InChIKey
JQPPYSABTIWLFZ-UHFFFAOYSA-N- 분자식
- C21H21ClN4O2
- 평균 분자량
- 396.9 g/mol
- 단동위원소 질량
- 396.1353036
이름 및 식별자
- 우선 이름
- 5-chloro-1-methyl-N-{2-[(4-methylbenzyl)amino]-2-oxoethyl}-3-phenyl-1H-pyrazole-4-carboxamide
- IUPAC
- 5-chloro-1-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-3-phenylpyrazole-4-carboxamide
- 영어명
- 5-CHLORO-1-METHYL-N-(2-[(4-METHYLBENZYL)AMINO]-2-OXOETHYL)-3-PHENYL-1H-PYRAZOLE-4-CARBOXAMIDE
- 분자식
- C21H21ClN4O2
- 분자량
- 396.87
이름 및 동의어
956624-64-95-chloro-1-methyl-N-{2-[(4-methylbenzyl)amino]-2-oxoethyl}-3-phenyl-1H-pyrazole-4-carboxamide2-[(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)formamido]-N-[(4-methylphenyl)methyl]acetamide5-chloro-1-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-3-phenylpyrazole-4-carboxamide5-Chloro-1-methyl-N-(2-((4-methylbenzyl)amino)-2-oxoethyl)-3-phenyl-1H-pyrazole-4-carboxamideAKOS0050840881W-02675-CHLORO-1-METHYL-N-(2-[(4-METHYLBENZYL)AMINO]-2-OXOETHYL)-3-PHENYL-1H-PYRAZOLE-4-CARBOXAMIDE1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl-N-[2-[[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-phenyl-
데이터베이스 식별자
- CAS
956624-64-9- PubChem CID
- 3737036
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 532
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