ethyl 3,5-dimethyl-1-(5-nitro-2-pyridinyl)-1H-pyrazole-4-carboxylate

HCID 3545175
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기본 정보

표준 SMILES
CCOC(=O)c1c(C)nn(-c2ccc([N+](=O)[O-])cn2)c1C
InChIKey
ISVSKRZYECTHHI-UHFFFAOYSA-N
분자식
C13H14N4O4
평균 분자량
290.27 g/mol

이름 및 식별자

우선 이름
ethyl 3,5-dimethyl-1-(5-nitro-2-pyridinyl)-1H-pyrazole-4-carboxylate
IUPAC
ethyl 3,5-dimethyl-1-(5-nitro-2-pyridinyl)pyrazole-4-carboxylate

이름 및 동의어

346440-94-6ethyl 3,5-dimethyl-1-(5-nitro-2-pyridinyl)-1H-pyrazole-4-carboxylateethyl 3,5-dimethyl-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carboxylateethyl 3,5-dimethyl-1-(5-nitropyridin-2-yl)pyrazole-4-carboxylateSCHEMBL6070203ISVSKRZYECTHHI-UHFFFAOYSA-NMFCD02570783AKOS00508118312P-615ethyl 3,5-dimethyl-1-(5-nitro-2-pyridyl)pyrazole-4-carboxylateethyl3,5-dimethyl-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carboxylate3,5-dimethyl-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
3545175

물성

구조 계산 물성

XLogP
2
극성 표면적
103 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
21

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