기본 정보
- CAS
606118-00-7- 표준 SMILES
Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2=O)cc1- InChIKey
YZLNFCWOZRTQAB-UHFFFAOYSA-N- 분자식
- C20H26N4O2
- 평균 분자량
- 354.4 g/mol
이름 및 식별자
- 우선 이름
- 5-tert-butyl-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-3-carboxamide
- IUPAC
- 3-tert-butyl-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-5-carboxamide
- 영어명
- 1H-Pyrazole-5-carboxamide,3-(1,1-dimethylethyl)-1-methyl-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-(9CI)
- 분자식
- C20H26N4O2
- 분자량
- 354.45
이름 및 동의어
MLS000074502SMR0000073055-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamidecid_648690CHEMBL1403484BDBM36845HMS2441B23AKOS0087302825-tert-butyl-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-3-carboxamide606118-00-7DB-279574SR-01000606574
이름 더 보기
1H-Pyrazole-5-carboxamide,3-(1,1-dimethylethyl)-1-methyl-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-(9CI)
SR-01000606574-2Z6061137105-tert-butyl-2-methyl-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-pyrazolecarboxamide5-tert-butyl-N-[4-(2-ketopyrrolidino)benzyl]-2-methyl-pyrazole-3-carboxamide1H-PYRAZOLE-5-CARBOXAMIDE, 3-(1,1-DIMETHYLETHYL)-1-METHYL-N-[[4-(2-OXO-1-PYRROLIDINYL)PHENYL]METHYL]-5-tert-butyl-2-methyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyrazole-3-carboxamide
데이터베이스 식별자
- CAS
606118-00-7- ChEMBL
CHEMBL1403484
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 522
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