4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide

C16H22N4O — CID 103000982

IUPAC4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCCc2ccnn2C)cc1
InChIInChI=1S/C16H22N4O/c1-13-3-5-14(6-4-13)16(21)18-12-11-17-9-7-15-8-10-19-20(15)2/h3-6,8,10,17H,7,9,11-12H2,1-2H3,(H,18,21)
InChIKeyFDPHFHCAPCYVSZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.29
Rot. Bonds7

About 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide

4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide (PubChem CID 103000982) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
PubChem CID103000982
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCCc2ccnn2C)cc1
InChIInChI=1S/C16H22N4O/c1-13-3-5-14(6-4-13)16(21)18-12-11-17-9-7-15-8-10-19-20(15)2/h3-6,8,10,17H,7,9,11-12H2,1-2H3,(H,18,21)
InChIKeyFDPHFHCAPCYVSZ-UHFFFAOYSA-N
XLogP1.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.29
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

3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide
CID 62131692
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazine-3-carboxamide
CID 103005660
2-hydroxy-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693761
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide (CID 103000982) is 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCCc2ccnn2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide?
The InChIKey is FDPHFHCAPCYVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-3-5-14(6-4-13)16(21)18-12-11-17-9-7-15-8-10-19-20(15)2/h3-6,8,10,17H,7,9,11-12H2,1-2H3,(H,18,21).
What are the key properties of 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide?
4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 103000982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).