3-메틸-1-페닐-2-피라졸린-5-온

1H-Pyrazol-5-ol, 3-methyl-1-phenyl-

HCID 70335CAS 19735-89-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(=O)n(-c2ccccc2)[nH]1
InChIKey: KZQYIMCESJLPQH-UHFFFAOYSA-N
분자식: C10H10N2O
평균 분자량: 174.2 g/mol
단동위원소 질량: 174.07931295

이름 및 식별자

우선 이름: 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
IUPAC: 5-methyl-2-phenyl-1H-pyrazol-3-one
현지명: 3-메틸-1-페닐-2-피라졸린-5-온
영어명: 1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
분자식: C10H10N2O
분자량: 174.2

이름 및 동의어

3-Methyl-1-phenyl-1H-pyrazol-5-ol942-32-51H-Pyrazol-5-ol, 3-methyl-1-phenyl-EINECS 213-390-4DTXSID9061334RefChem:438923DTXCID504892419735-89-85-METHYL-2-PHENYL-1,2-DIHYDROPYRAZOL-3-ONE5-methyl-2-phenyl-1H-pyrazol-3(2H)-one5-Methyl-2-phenyl-2H-pyrazol-3-ol5-methyl-2-phenyl-1H-pyrazol-3-one

이름 더 보기

1-PHENYL-3-METHYL-5-PYRAZOLONE1,2-Dihydro-5-methylEdaravone Impurity 9Edaravone Impurity 16Edaravone Related CompoundEdaravone Related Compound 12-Phenyl-5-methyl-1H-pyrazole-3(2H)-one

N-Demethylantipyrine1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-5-hydroxy-3-methyl-1-phenylpyrazole3-Methyl-1-phenylpyrazolin-5-one5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-oneMFCD00127930

데이터베이스 식별자

CAS: 19735-89-8、89-25-8、942-32-5
PubChem CID: 70335
DTXSID: DTXSID6091550
ChEMBL: CHEMBL4303694、CHEMBL5550002
ChEBI: CHEBI:190738
EC Number: 213-390-4、243-261-8
Nikkaji: J2.853.555D、J225.260K、J298.544F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 241

실험 및 물리화학적 성질

Melting Point130 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 128 °C · 128°C
끓는 점: 305.17 °C · 305.17°C (rough estimate)
밀도: 1.26 · 1.2600
굴절률: 1.637 · 1.6370 (estimate)
저장 조건: Store at room temperature
산도 계수 (pKa): 0.1 · 0.10±0.40(Predicted)
EPA: 1 · 1-Phenyl-3-methyl-5-pyrazolone (19735-89-8)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Metabolism/MetabolitesEdaravone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(5-methyl-2-phenylpyrazol-3-yl)oxyoxane-2-carboxylic acid.；Norantipyrine is a known human metabolite of antipyrine.

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

General Manufacturing Information1H-Pyrazol-5-ol, 3-methyl-1-phenyl-: INACTIVE

상·하류 제품 정보

하류 제품

C.I. 용제 적색 008 C.I. 용제 오렌지 062 산성오렌지89 산성레드226 Acid Yellow 42 Solvent Yellow 16 Solvent Yellow 18 C.I. 산성 황색 059 Acid violet 90 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde, 97%5-클로로-3-메틸-1-페닐피라졸

공급사23 곳

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