N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
기본 정보
- CAS
1285519-64-3- 표준 SMILES
COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1- InChIKey
KMUUYHSRMWYYGP-YVUBOPQPSA-N- 분자식
- C19H18N4O3
- 평균 분자량
- 350.4 g/mol
- 단동위원소 질량
- 350.13789045
개요
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-5-(5-methyl-2-furanyl)-1H-pyrazole-3-carboxamide is a member of methoxybenzenes.
이름 및 식별자
- 우선 이름
- N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
- IUPAC
- N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
- 영어명
- N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
- 분자식
- C19H18N4O3
- 분자량
- 350.37
이름 및 동의어
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide1285519-64-3MLS000769219CHEMBL2002062CHEBI:121878REGID_for_CID_1554015DTXSID701326193MFCD01915215STK104540ZINC15952597AKOS001635326SMR000433953
이름 더 보기
N'-(3-(2-MEO-PH)-2-PROPENYLIDENE)-3-(5-ME-2-FURYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-(3-(2-MEO-PH)-2-PROPENYLIDENE)-3-(5-ME-2-FURYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(5-methyl-2-furanyl)-, (2E)-2-[(2E)-3-(2-methoxyphenyl)-2-propen-1-ylidene]hydrazide
ST023140ZINC000004033867COc1ccccc1C=CC=NNC(=O)c1(nH)nc(c1)c1ccc(o1)CCC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=CC=CC3=CC=CC=C3OC(E)N((E)3(2methoxyphenyl)allylidene)3(5methylfuran2yl)1Hpyrazole5carbohydrazideN((1E2E)3(2METHOXYPHENYL)PROP2EN1YLIDENE)3(5METHYLFURAN2YL)1HPYRAZOLE5CARBOHYDRAZIDEN((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)(3(5METHYL(2FURYL))PYRAZOL5YL)CARBOXAMIDE(E)-N'-((E)-3-(2-methoxyphenyl)allylidene)-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 92.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 525
실험 및 물리화학적 성질
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.93 · 10.93±0.10(Predicted)
관련 반응
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