2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide

C16H22N4O — CID 104548263

IUPAC2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCCn1cccn1
InChIInChI=1S/C16H22N4O/c1-17-11-8-14-6-2-3-7-15(14)16(21)18-9-4-12-20-13-5-10-19-20/h2-3,5-7,10,13,17H,4,8-9,11-12H2,1H3,(H,18,21)
InChIKeyNKQKATHJMJCLRC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.47
Rot. Bonds8

About 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide

2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 104548263) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID104548263
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCNCCc1ccccc1C(=O)NCCCn1cccn1
InChIInChI=1S/C16H22N4O/c1-17-11-8-14-6-2-3-7-15(14)16(21)18-9-4-12-20-13-5-10-19-20/h2-3,5-7,10,13,17H,4,8-9,11-12H2,1H3,(H,18,21)
InChIKeyNKQKATHJMJCLRC-UHFFFAOYSA-N
XLogP1.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
N-[2-(ethylsulfamoyl)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 106337113
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide (CID 104548263) is 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide is CNCCc1ccccc1C(=O)NCCCn1cccn1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is NKQKATHJMJCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-11-8-14-6-2-3-7-15(14)16(21)18-9-4-12-20-13-5-10-19-20/h2-3,5-7,10,13,17H,4,8-9,11-12H2,1H3,(H,18,21).
What are the key properties of 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 104548263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).