2-Phenyl-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid
기본 정보
- CAS
618382-77-7- 표준 SMILES
O=C(O)c1cc(-c2cccs2)nn1-c1ccccc1- InChIKey
JLKPYSTVZVLINY-UHFFFAOYSA-N- 분자식
- C14H10N2O2S
- 평균 분자량
- 270.31 g/mol
- 단동위원소 질량
- 270.04629874
이름 및 식별자
- 우선 이름
- 2-Phenyl-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid
- IUPAC
- 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
- 영어명
- 2-Phenyl-5-thiophen-2-yl-2H-pyrazole-3-carboxylicacid
- 분자식
- C14H10N2O2S
- 분자량
- 270.31
이름 및 동의어
618382-77-72-Phenyl-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid1-phenyl-3-(thiophen-2-yl)-1h-pyrazole-5-carboxylic acid2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylic acidMFCD039564241-phenyl-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid1-Phenyl-3-(thien-2-yl)-1H-pyrazole-5-carboxylic acid1-phenyl-3-(2-thienyl)pyrazole-5-carboxylic acidEnamine_0047032-PHENYL-5-THIOPHEN-2-YL-2H-PYRAZOLE-3-CARBOXYLICACIDMLS000774504CHEMBL1711157
이름 더 보기
1H-Pyrazole-5-carboxylic acid, 1-phenyl-3-(2-thienyl)-1-Phenyl-3-(thiophenyl-2-yl)-1H-pyrazole-5-carboxylic acidJR-7099, 1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid, 97%
DTXSID00377784HMS1407F17HMS2735C07SBB040043AKOS000271170SMR000372073CS-0270114ST50179906
데이터베이스 식별자
- CAS
618382-77-7- PubChem CID
- 2769603
- DTXSID
DTXSID00377784- ChEMBL
CHEMBL1711157
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 83.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 333
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