Ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate

HCID 23005696CAS 50920-48-4

基本情報

標準SMILES: CCOC(=O)c1cc(C)n(C(C)C)n1
InChIKey: XOJOQIUVANMZEP-UHFFFAOYSA-N
分子式: C10H16N2O2
平均分子量: 196.25 g/mol

名称と識別子

優先名称: Ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate
IUPAC: ethyl 5-methyl-1-propan-2-ylpyrazole-3-carboxylate

名称と別名

50920-48-4ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylateRefChem:593333959-418-5ethyl 5-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylateMFCD08700679ethyl 5-methyl-1-propan-2-ylpyrazole-3-carboxylateF2145-1028SCHEMBL9941672XOJOQIUVANMZEP-UHFFFAOYSA-NALBB-032329AKOS003673207

名称をさらに表示

LS-11960SY304411DB-400943EN300-239736H46277ethyl 1-isopropyl-5-methyl-pyrazole-3-carboxylateF495450ethyl1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate

データベース識別子

CAS: 50920-48-4
PubChem CID: 23005696
EC Number: 959-418-5

物性

構造計算による物性

XLogP: 1.9
極性表面積: 44.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 206

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.