5-메틸-1H-피라졸-3-카르복실산

5-methyl-1H-pyrazole-3-carboxylic acid

HCID 9822CAS 402-61-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cc(C(=O)O)n[nH]1
InChIKey
WSMQKESQZFQMFW-UHFFFAOYSA-N
분자식
C5H6N2O2
평균 분자량
126.11 g/mol
단동위원소 질량
126.04292743

개요

5-methyl-pyrazole-3-carboxylic acid is a memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. It has a role as a metabolite. It is a monocarboxylic acid and a member of pyrazoles. It derives from a hydride of a 1H-pyrazole.

이름 및 식별자

우선 이름
5-methyl-1H-pyrazole-3-carboxylic acid
IUPAC
5-methyl-1H-pyrazole-3-carboxylic acid
현지명
5-메틸-1H-피라졸-3-카르복실산
영어명
5-Methyl-1H-pyrazole-3-carboxylic acid
분자식
C5H6N2O2
분자량
126.11

이름 및 동의어

5-Methyl-1H-pyrazole-3-carboxylic acid402-61-93-Methylpyrazole-5-carboxylic acid5-METHYLPYRAZOLE-3-CARBOXYLIC ACIDAS057278DTXSID50193198NSC-1408U71778T48TAS-057278RefChem:503542DTXCID601156893-methyl-1H-pyrazole-5-carboxylic acid
이름 더 보기
5-메틸-1H-피라졸-3-카르복실산U-19425AKOS B000144AKOS PAO-0003BUTTPARK 43\57-89BUTTPARK 52\11-25AKOS BBS-00002591IFLAB-BB F2120-0002IFLAB-BB F0917-7550
696-22-05-Methyl-2H-pyrazole-3-carboxylic acidMFCD004622353-METHYL-1H-PYRAZOLE-5-CARBOXYLICACIDMFCD00090754Pyrazole-3-carboxylic acid, 5-methyl-BRN 00029065-methylpyrazole-3-carboxylicacid

데이터베이스 식별자

CAS
402-61-9、696-22-0
PubChem CID
9822
DTXSID
DTXSID50193198
ChEMBL
CHEMBL391574
ChEBI
CHEBI:74739
UNII
U71778T48T
EC Number
673-162-9
Nikkaji
J2.236.305K、J325.852A

물성

구조 계산 물성

XLogP
0.5
극성 표면적
66 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
9

물리화학적 성질

녹는점
241 °C · 241 °C
끓는 점
388.8 · 388.8±22.0 °C(Predicted)
밀도
1.404 · 1.404±0.06 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
디메틸설폭사이드에 용해됩니다.
물리적 상태
powder to crystal

화학적 성질

White to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk
3
rtecs
UQ6407500
HS 번호
29331990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

응용 분야 · 2건

용도3-Methylpyrazole-5-carboxylic acid is a potent and selective D-amino acid oxidase (DAO) (also known as DAAO, DAMOX and OXDA) inhibitor that protects DAO cells from oxidative stress induced by D-Serine. 3-Methylpyrazole-5-carboxylic acid specifically prevents formalin-induced tonic pain.

일반 설명3-Methylpyrazole-5-carboxylic acid is a potent and selective D-amino acid oxidase (DAO) (also known as DAAO, DAMOX and OXDA) inhibitor that protects DAO cells from oxidative stress induced by D-Serine. 3-Methylpyrazole-5-carboxylic acid specifically prevents formalin-induced tonic pain.

상·하류 제품 정보

공급사50 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

추가 설명

정의ChEBI: A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively.

관련 반응

17건
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