ethyl 1-isopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

HCID 57574507

기본 정보

표준 SMILES
CCOC(=O)c1cn(C(C)C)nc1C(F)(F)F
InChIKey
GAZWLTWCIUSEKP-UHFFFAOYSA-N
분자식
C10H13F3N2O2
평균 분자량
250.22 g/mol

이름 및 식별자

우선 이름
ethyl 1-isopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
IUPAC
ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate

이름 및 동의어

ethyl 1-isopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL574351DB-129874ethyl 3-(trifluoromethyl)-1-isopropyl-1H-pyrazole-4-carboxylate1-(prop-2-yl)-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester1-Isopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxyl ic acid ethyl ester1-Isopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester1-Isopropyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
57574507

물성

구조 계산 물성

XLogP
2.1
극성 표면적
44.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
17

관련 반응

7건

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