4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C20H29N5O2 — CID 9125498

IUPAC4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCCCn2nc(C)cc2C)cc1
InChIInChI=1S/C20H29N5O2/c1-15-12-16(2)25(23-15)11-5-10-22-19(26)14-24(4)13-17-6-8-18(9-7-17)20(27)21-3/h6-9,12H,5,10-11,13-14H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyFXKRLESOWXKRNH-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.50
Rot. Bonds9

About 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 9125498) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID9125498
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCCCn2nc(C)cc2C)cc1
InChIInChI=1S/C20H29N5O2/c1-15-12-16(2)25(23-15)11-5-10-22-19(26)14-24(4)13-17-6-8-18(9-7-17)20(27)21-3/h6-9,12H,5,10-11,13-14H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyFXKRLESOWXKRNH-UHFFFAOYSA-N
XLogP1.50
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-[[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 111277887
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 8814267
ethyl N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-N-methylcarbamate
CID 51081607
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86912648
4-[[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 55445494
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539
4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 60503006
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 9125498) is 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)NCCCn2nc(C)cc2C)cc1.
What is the InChIKey of 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is FXKRLESOWXKRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-12-16(2)25(23-15)11-5-10-22-19(26)14-24(4)13-17-6-8-18(9-7-17)20(27)21-3/h6-9,12H,5,10-11,13-14H2,1-4H3,(H,21,27)(H,22,26).
What are the key properties of 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 371.49 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9125498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).