ethyl 1-{2-[(tert-butoxycarbonyl)amino]propyl}-3-(phenoxymethyl)-1H-pyrazole-5-carboxylate

HCID 67958408

기본 정보

표준 SMILES
CCOC(=O)c1cc(COc2ccccc2)nn1CC(C)NC(=O)OC(C)(C)C
InChIKey
YOILUAMLQCOKAH-UHFFFAOYSA-N
분자식
C21H29N3O5
평균 분자량
403.5 g/mol
단동위원소 질량
403.21072103

이름 및 식별자

우선 이름
ethyl 1-{2-[(tert-butoxycarbonyl)amino]propyl}-3-(phenoxymethyl)-1H-pyrazole-5-carboxylate
IUPAC
ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-(phenoxymethyl)pyrazole-5-carboxylate

이름 및 동의어

SCHEMBL9900894YOILUAMLQCOKAH-UHFFFAOYSA-Nethyl 1-{2-[(tert-butoxycarbonyl)amino]propyl}-3-(phenoxymethyl)-1H-pyrazole-5-carboxylate(rac)-2-(2-tert-butoxycarbonylamino-propyl)-5-phenoxymethyl-2H-pyrazole-3-carboxylic acid ethyl ester2-(2-tert-butoxycarbonylamino-propyl)-5-phenoxymethyl-2H-pyrazole-3-carboxylic acid ethyl esterrac-2-(2-tert-butoxycarbonylamino-propyl)-5-phenoxymethyl-2H-pyrazole-3-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
67958408

물성

구조 계산 물성

XLogP
3.4
극성 표면적
91.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
11
무거운 원자 수
29

관련 반응

26건

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