1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehyde

HCID 759126
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기본 정보

표준 SMILES
Cc1ccc(-n2[nH]c(C)c(C=O)c2=O)cc1C
InChIKey
XGMHWNUWJIFQBO-UHFFFAOYSA-N
분자식
C13H14N2O2
평균 분자량
230.26 g/mol
단동위원소 질량
230.10552769

이름 및 식별자

우선 이름
1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehyde
IUPAC
2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde

이름 및 동의어

1-(3,4-dimethylphenyl)-3-methyl-5-oxo-3-pyrazolin-4-carbaldehyde1-(3,4-DIMETHYLPHENYL)-4-(HYDROXYMETHYLIDENE)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE2-(3,4-dimethylphenyl)-4-(hydroxymethylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-oneSCHEMBL1303785SCHEMBL2558964AJFYPLFBIIYJJB-UHFFFAOYSA-NXGMHWNUWJIFQBO-UHFFFAOYSA-NHMS1583K151-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehydeMFCD00746748AKOS001720097AKOS015917701
이름 더 보기
AKOS024361467340041-33-0DB-120874DB-353905ST50991763AB00091490-011-(3,4-dimethylphenyl)-4-(hydroxymethylene)-3-methyl-1,2-diazolin-5-one1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-carbaldehyde

데이터베이스 식별자

PubChem CID
759126

물성

구조 계산 물성

XLogP
2.2
극성 표면적
49.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
17

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