1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

C22H24N4O2 — CID 166194202

IUPAC1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-25(4-2)22(28)19-12-10-18(11-13-19)21(27)24-20-14-23-26(16-20)15-17-8-6-5-7-9-17/h5-14,16H,3-4,15H2,1-2H3,(H,24,27)
InChIKeySMHARWHMKHVMAL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.67
Rot. Bonds7

About 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (PubChem CID 166194202) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
PubChem CID166194202
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-25(4-2)22(28)19-12-10-18(11-13-19)21(27)24-20-14-23-26(16-20)15-17-8-6-5-7-9-17/h5-14,16H,3-4,15H2,1-2H3,(H,24,27)
InChIKeySMHARWHMKHVMAL-UHFFFAOYSA-N
XLogP3.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
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CID 55946939
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 134701056
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55948214

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (CID 166194202) is 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The InChIKey is SMHARWHMKHVMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-25(4-2)22(28)19-12-10-18(11-13-19)21(27)24-20-14-23-26(16-20)15-17-8-6-5-7-9-17/h5-14,16H,3-4,15H2,1-2H3,(H,24,27).
What are the key properties of 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 166194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).