4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

C15H18N4O2 — CID 122143622

IUPAC4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18N4O2/c1-3-19-13(8-9-17-19)10-18(2)15(21)12-6-4-11(5-7-12)14(16)20/h4-9H,3,10H2,1-2H3,(H2,16,20)
InChIKeyGLGDVGWMRZCFFZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.27
Rot. Bonds5

About 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 122143622) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID122143622
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18N4O2/c1-3-19-13(8-9-17-19)10-18(2)15(21)12-6-4-11(5-7-12)14(16)20/h4-9H,3,10H2,1-2H3,(H2,16,20)
InChIKeyGLGDVGWMRZCFFZ-UHFFFAOYSA-N
XLogP1.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454317
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454365
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19454341
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (CID 122143622) is 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is CCn1nccc1CN(C)C(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is GLGDVGWMRZCFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-19-13(8-9-17-19)10-18(2)15(21)12-6-4-11(5-7-12)14(16)20/h4-9H,3,10H2,1-2H3,(H2,16,20).
What are the key properties of 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 122143622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).