2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride

C15H22Cl2N4O — CID 120670649

IUPAC2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC(C)Cn2cccn2)cc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-11-4-6-13(7-5-11)14(16)15(20)18-12(2)10-19-9-3-8-17-19;;/h3-9,12,14H,10,16H2,1-2H3,(H,18,20);2*1H
InChIKeyBCCHDZWGCDOKPI-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.24
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride

2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride (PubChem CID 120670649) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride
PubChem CID120670649
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC(C)Cn2cccn2)cc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-11-4-6-13(7-5-11)14(16)15(20)18-12(2)10-19-9-3-8-17-19;;/h3-9,12,14H,10,16H2,1-2H3,(H,18,20);2*1H
InChIKeyBCCHDZWGCDOKPI-UHFFFAOYSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 61154759
2-amino-N-(1-ethylsulfanylpropan-2-yl)-2-(4-methylphenyl)acetamide
CID 114150574
2-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668952
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654
2-amino-N-(3-methylpentan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667739
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
CID 95159580
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride (CID 120670649) is 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NC(C)Cn2cccn2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride?
The InChIKey is BCCHDZWGCDOKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-11-4-6-13(7-5-11)14(16)15(20)18-12(2)10-19-9-3-8-17-19;;/h3-9,12,14H,10,16H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120670649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).