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4-(3-aminopropyl)-2,4-dihydro-3H-pyrazol-3-one 4-(3-aminopropyl)-2,4-dihydro-3H-pyrazol-3-one
CAS 7032-17-9 MFCD00053049
化学结构图
SMILES: NCCCC1C=NNC1=O
化学属性
Mol. Formula
C6H11N3O
Mol. Weight
141.17
Melting Point
216 °C
别名和识别编码
Chemical Name
4-(3-aminopropyl)-2,4-dihydro-3H-pyrazol-3-one
CAS Number
7032-17-9
Alfabeta Name
AMINOPROPYLDIHYDROPYRAZOLONE H432433()--------,
MDL Number
MFCD00053049
Chemical Name Translation
4-(3-aminopropyl)-2,4-dihydro-3H-pyrazol-3-one
Synonym
4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyrazol-5-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Aminopropyl)-4,5-dihydro-1h-pyra
LabNetwork Molecule ID
LN00147690
PubChem Substance ID
2776763
InChI
InChI=1S/C6H11N3O/c7-3-1-2-5-4-8-9-6(5)10/h4-5H,1-3,7H2,(H,9,10)
Canonical SMILES
O=C1NN=CC1CCCN
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分类
Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyrazoles
{KO} AminesPrimary
安全信息
Warnings
IRRITANT
GHS Symbol
WGK Germany
3
Precautionary statements
P280
Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Signal word
Warning
Safety Statements
S36/37
Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Hazard statements
H317
May cause an allergic skin reaction 可能导致皮肤过敏
Hazard Codes
Xi
Risk Statements
R43
May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
2
LogP
-9.012000000000000e-001
系列性分类
Chemical Synthesis 化学合成
Building Blocks 合成砌块
Heterocyclic Building Blocks 杂环合成砌块
Pyrazoles 吡唑
C6 - Pyrazoles
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