4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide

C23H28N6O2 — CID 71288555

IUPAC4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C)C1CCC1
InChIInChI=1S/C23H28N6O2/c1-27-15-19(16-8-5-4-6-9-16)26-20(27)12-13-24-22(30)21-18(14-25-29(21)3)23(31)28(2)17-10-7-11-17/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,24,30)
InChIKeyZYNTUFHVDIFOKD-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.42
Rot. Bonds7

About 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide

4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide (PubChem CID 71288555) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
PubChem CID71288555
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C)C1CCC1
InChIInChI=1S/C23H28N6O2/c1-27-15-19(16-8-5-4-6-9-16)26-20(27)12-13-24-22(30)21-18(14-25-29(21)3)23(31)28(2)17-10-7-11-17/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,24,30)
InChIKeyZYNTUFHVDIFOKD-UHFFFAOYSA-N
XLogP2.42
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide (CID 71288555) is 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide is CN(C(=O)c1cnn(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C)C1CCC1.
What is the InChIKey of 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
The InChIKey is ZYNTUFHVDIFOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-27-15-19(16-8-5-4-6-9-16)26-20(27)12-13-24-22(30)21-18(14-25-29(21)3)23(31)28(2)17-10-7-11-17/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,24,30).
What are the key properties of 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71288555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).