3,5-디메틸-1-(3-니트로페닐)-1H-피라졸-4-카르복실산에틸에스테르

3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

HCID 656969CAS 346440-86-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C
InChIKey: MSYGAHOHLUJIKV-UHFFFAOYSA-N
분자식: C14H15N3O4
평균 분자량: 289.29 g/mol
단동위원소 질량: 289.10625596

개요

Compounds that specifically inhibit PHOSPHODIESTERASE 4.

이름 및 식별자

우선 이름: 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC: ethyl 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylate
현지명: 3,5-디메틸-1-(3-니트로페닐)-1H-피라졸-4-카르복실산에틸에스테르
영어명: 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
분자식: C14H15N3O4
분자량: 289.29

이름 및 동의어

346440-86-64 Inhibitor, PhosphodiesteraseCHEBI:68844DTXCID10300745DTXSID70349675Inhibitor, PDE-4Inhibitor, PDE4Inhibitor, Phosphodiesterase 4Inhibitors, PDE-4Inhibitors, PDE4Inhibitors, Phosphodiesterase 4PDE 4 Inhibitor

이름 더 보기

3,5-디메틸-1-(3-니트로페닐)-1H-피라졸-4-카르복실산에틸에스테르Ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylate3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester

PDE 4 InhibitorsPDE-4 InhibitorPDE-4 InhibitorsPhosphodiesterase 4 InhibitorPhosphodiesterase 4 Inhibitorsphosphodiesterase IV inhibitorphosphodiesterase IV inhibitorsPhosphodiesterase Type 4 Inhibitor

데이터베이스 식별자

CAS: 346440-86-6
PubChem CID: 656969
DTXSID: DTXSID70349675
ChEMBL: CHEMBL1230564
UNII: JT7Z77NV2G
Nikkaji: J2.142.344K

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 89.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 398

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

저장 조건: -20 °C · Store at -20°C
용해도: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml; Ethanol: 5 mg/ml
물리적 상태: 고체