4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide

C16H22N4O — CID 63378518

IUPAC4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C16H22N4O/c1-11(15-10-20(4)19-12(15)2)18-9-13-5-7-14(8-6-13)16(21)17-3/h5-8,10-11,18H,9H2,1-4H3,(H,17,21)
InChIKeyGNSYAVRBKRUGKY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.94
Rot. Bonds5

About 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide

4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide (PubChem CID 63378518) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide
PubChem CID63378518
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C16H22N4O/c1-11(15-10-20(4)19-12(15)2)18-9-13-5-7-14(8-6-13)16(21)17-3/h5-8,10-11,18H,9H2,1-4H3,(H,17,21)
InChIKeyGNSYAVRBKRUGKY-UHFFFAOYSA-N
XLogP1.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide (CID 63378518) is 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(C)c2cn(C)nc2C)cc1.
What is the InChIKey of 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide?
The InChIKey is GNSYAVRBKRUGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(15-10-20(4)19-12(15)2)18-9-13-5-7-14(8-6-13)16(21)17-3/h5-8,10-11,18H,9H2,1-4H3,(H,17,21).
What are the key properties of 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide?
4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 63378518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).