4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide

HCID 13822925CAS 59023-32-4

基本情報

標準SMILES: Cc1nn(C)c(C(N)=O)c1N
InChIKey: MAEONVQIUBKEIF-UHFFFAOYSA-N
分子式: C6H10N4O
平均分子量: 154.17 g/mol
単同位体質量: 154.08546094

名称と識別子

優先名称: 4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
IUPAC: 4-amino-1,3-dimethylpyrazole-5-carboxamide
英語名: 4-Amino-n,3-dimethyl-1H-pyrazole-5-carboxamide
分子式: C6H10N4O
分子量: 154.17

名称と別名

59023-32-44-AMINO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXAMIDEDTXSID20550512RefChem:289709DTXCID70501296864-746-6MFCD099097584-AMINO-2,5-DIMETHYLPYRAZOLE-3-CARBOXAMIDE4-Amino-2,5-dimethyl-2H-pyrazole-3-carboxylic acid amide1H-Pyrazole-5-carboxamide, 4-amino-1,3-dimethyl-1,3-dimethyl-4-aminopyrazole-5-carboxamideSildenafil Impurity 240

名称をさらに表示

4-Amino-n,3-dimethyl-1H-pyrazole-5-carboxamide4-Amino-1-Methyl-3-methyl pyrazole-5-carboxamideQ: What is 4-Amino-1-Methyl-3-methyl pyrazole-5-carboxamide Q: What is the CAS Number of 4-Amino-1-Methyl-3-methyl pyrazole-5-carboxamide

SCHEMBL1095MAEONVQIUBKEIF-UHFFFAOYSA-NJCA02332AKOS006313996AB54859NS-011901,3-dimethyl-4-amino-pyrazol-5-carboxamide4-Amino-1,3-dimethylpyrazole-5-carboxamide

データベース識別子

CAS: 59023-32-4
PubChem CID: 13822925
DTXSID: DTXSID20550512
EC Number: 864-746-6

物性

構造計算による物性

XLogP: -0.3
極性表面積: 86.9 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 172

物理化学的性質

沸点: 296.6 · 296.6±40.0 °C(Predicted)
比重(密度): 1.46 · 1.46±0.1 g/cm3(Predicted)
酸解離定数(Pka): 15.32 · 15.32±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.