Tert-butyl 5-amino-3-[2-(3,5-dimethoxyphenyl)ethyl]pyrazole-1-carboxylate

HCID 57440371

기본 정보

표준 SMILES
COc1cc(CCc2cc(N)n(C(=O)OC(C)(C)C)n2)cc(OC)c1
InChIKey
AWLPUXWTZZHQJY-UHFFFAOYSA-N
분자식
C18H25N3O4
평균 분자량
347.4 g/mol

이름 및 식별자

우선 이름
Tert-butyl 5-amino-3-[2-(3,5-dimethoxyphenyl)ethyl]pyrazole-1-carboxylate
IUPAC
tert-butyl 5-amino-3-[2-(3,5-dimethoxyphenyl)ethyl]pyrazole-1-carboxylate

이름 및 동의어

1035270-66-6tert-butyl 5-amino-3-[2-(3,5-dimethoxyphenyl)ethyl]pyrazole-1-carboxylatetert-butyl 5-amino-3-(3,5-dimethoxyphenethyl)-1H-pyrazole-1-carboxylateSCHEMBL63798AWLPUXWTZZHQJY-UHFFFAOYSA-NDA-48234tert-butyl 5-amino-3-[2-(3,5-dimethoxyphenyl) ethyl]pyrazole-1-carboxylatetert-butyl-5-amino-3-[2-(3,5-dimethoxyphenyl)ethyl]pyrazole-1-carboxylatetert-butyl 5-amino-3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazole-1-carboxylate

데이터베이스 식별자

PubChem CID
57440371

물성

구조 계산 물성

XLogP
3.9
극성 표면적
88.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
25

관련 반응

67건

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