1-(4-메톡시-벤질)-1H-피라졸-4-카르복실산

1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid

HCID 43565362CAS 1105039-93-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(Cn2cc(C(=O)O)cn2)cc1
InChIKey: JMWJJDKQQMMJRG-UHFFFAOYSA-N
분자식: C12H12N2O3
평균 분자량: 232.23 g/mol

이름 및 식별자

우선 이름: 1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid
IUPAC: 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
현지명: 1-(4-메톡시-벤질)-1H-피라졸-4-카르복실산
영어명: 1-(4-Methoxy-benzyl)-1H-pyrazole-4-carboxylic acid
분자식: C12H12N2O3
분자량: 232.24

이름 및 동의어

1105039-93-71-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid1-((4-methoxyphenyl)methyl)-1H-pyrazole-4-carboxylic acidRefChem:418695866-162-71-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylic acidMFCD084569281-(4-Methoxy-benzyl)-1H-pyrazole-4-carboxylic acid1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylicacidPiraxostat Impurity 36SCHEMBL369349

이름 더 보기

1-(4-메톡시-벤질)-1H-피라졸-4-카르복실산182708Piraxostat Impurity 361H-Pyrazole-4-carboxylic acid, 1-[(4-methoxyphenyl)methyl]-

JMWJJDKQQMMJRG-UHFFFAOYSA-NFUB03993AKOS009585478DS-10017SY104416DB-328591CS-0150392EN300-73681

데이터베이스 식별자

CAS: 1105039-93-7
PubChem CID: 43565362
EC Number: 866-162-7

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 264

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.