3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester

HCID 656964CAS 89193-18-0

기본 정보

표준 SMILES: CCOC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIKey: BUIZDUYEIRRDAV-UHFFFAOYSA-N
분자식: C14H16N2O2
평균 분자량: 244.29 g/mol
단동위원소 질량: 244.12117775

이름 및 식별자

우선 이름: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC: ethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

이름 및 동의어

3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER89193-18-0DTXSID90349672RefChem:486946DTXCID303007424-(ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-iumethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, ethyl esterETHYL 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATEMFCD002334611y2cPyrazole carboxylic ester 8

이름 더 보기

3DESCHEMBL6069548CHEMBL1794670BDBM14785BUIZDUYEIRRDAV-UHFFFAOYSA-NSBB077903AKOS000320108AB05031

데이터베이스 식별자

CAS: 89193-18-0
PubChem CID: 656964
DTXSID: DTXSID90349672
ChEMBL: CHEMBL1794670
Nikkaji: J2.142.339D

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 290

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

연결된 노트

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