4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide

C21H20N6O2 — CID 165368447

IUPAC4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H20N6O2/c1-26(2)21(29)15-12-22-27(3)18(15)20(28)23-14-9-10-16-17(11-14)25-19(24-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,28)(H,24,25)
InChIKeyFPXYSABPAGHOSR-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.92
Rot. Bonds4

About 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide

4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide (PubChem CID 165368447) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide
PubChem CID165368447
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H20N6O2/c1-26(2)21(29)15-12-22-27(3)18(15)20(28)23-14-9-10-16-17(11-14)25-19(24-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,28)(H,24,25)
InChIKeyFPXYSABPAGHOSR-UHFFFAOYSA-N
XLogP2.92
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide (CID 165368447) is 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide is CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is FPXYSABPAGHOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26(2)21(29)15-12-22-27(3)18(15)20(28)23-14-9-10-16-17(11-14)25-19(24-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,28)(H,24,25).
What are the key properties of 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide?
4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,1-trimethyl-5-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165368447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).