1-メチル-3-フェニル-1H-ピラゾール-5-アミン

1-Methyl-3-phenyl-1H-pyrazol-5-amine

HCID 517779CAS 10199-50-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1nc(-c2ccccc2)cc1N
InChIKey: KCYRMURRLLYLPU-UHFFFAOYSA-N
分子式: C10H11N3
平均分子量: 173.21 g/mol
単同位体質量: 173.09529735

概要

1-methyl-3-phenyl-1H-pyrazol-5-amine is a member of pyrazoles and a ring assembly.

名称と識別子

優先名称: 1-Methyl-3-phenyl-1H-pyrazol-5-amine
IUPAC: 1-methyl-3-phenylpyrazol-5-amine
現地名: 1-メチル-3-フェニル-1H-ピラゾール-5-アミン
英語名: 5-AMINO-1-METHYL-3-PHENYLPYRAZOLE
分子式: C10H11N3
分子量: 173.21

名称と別名

1-Methyl-3-phenyl-1H-pyrazol-5-amine10199-50-5DTXSID30333717RefChem:434243DTXCID40284807673-124-1InChI=1/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H5-Amino-1-methyl-3-phenylpyrazole2-methyl-5-phenylpyrazol-3-amine1H-Pyrazol-5-amine, 1-methyl-3-phenyl-MFCD000678742-Methyl-5-Phenyl-Pyrazol-3-Amine

名称をさらに表示

1-メチル-3-フェニル-1H-ピラゾール-5-アミン5-アミノ-1-メチル-3-フェニルピラゾールBUTTPARK 30\09-85TIMTEC-BB SBB0055072-methyl-5-phenyl-3-pyrazolamine5-Amino-1-menthyl-3-phenylpyrazole

CHEMBL40840291-methyl-3-phenyl-5-pyrazolamine2-methyl-5-phenyl-2h-pyrazol-3-ylamine1-methyl-3-phenylpyrazole-5-ylamine5-amino-1-methyl-3-phenyl-1h-pyrazoleVITAS-BB TBB000664(2-Methyl-5-phenyl-2H-pyrazol-3-yl)amine; 1-Methyl-3-phenyl-5-aminopyrazole; 2-Methyl-5-phenylpyrazol-3-amine; 3-Amino-2-methyl-5-phenyl-2H-pyrazole; 3-Phenyl-1-methyl-1H-pyrazol-5-amine; 5-Amino-1-methyl-3-phenylpyrazoleMaybridge1_004465

データベース識別子

CAS: 10199-50-5
PubChem CID: 517779
DTXSID: DTXSID30333717
ChEMBL: CHEMBL4084029
ChEBI: CHEBI:183500
EC Number: 673-124-1
Nikkaji: J764.555D

物性

構造計算による物性

XLogP: 1.5
極性表面積: 43.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 166

物理化学的性質

融点: 125 · 125-128°C
沸点: 368.1 · 368.1±30.0 °C(Predicted)
比重(密度): 1.17 · 1.17±0.1 g/cm3(Predicted)
貯蔵温度: Refrigerator
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 3 · 3+-.0.10(Predicted)
外見: 個体
色: オフホワイト
BRN: 743807 · 743807
CAS データベース: 10199 · 10199-50-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (90.9%): 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)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.