6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C23H38N6O3 — CID 46278770

IUPAC6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O
InChIInChI=1S/C23H38N6O3/c1-5-28(6-2)14-10-13-24-20(30)18-15-19-21(31)27(4)23(3,16-29(19)26-18)22(32)25-17-11-8-7-9-12-17/h15,17H,5-14,16H2,1-4H3,(H,24,30)(H,25,32)
InChIKeyXBQUUAGMDBERPP-UHFFFAOYSA-N
MW446.60 g/mol
LogP1.64
Rot. Bonds9

About 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278770) has the molecular formula C23H38N6O3 and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278770
Molecular FormulaC23H38N6O3
Molecular Weight446.60 g/mol
Exact Mass446.30
IUPAC Name6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O
InChIInChI=1S/C23H38N6O3/c1-5-28(6-2)14-10-13-24-20(30)18-15-19-21(31)27(4)23(3,16-29(19)26-18)22(32)25-17-11-8-7-9-12-17/h15,17H,5-14,16H2,1-4H3,(H,24,30)(H,25,32)
InChIKeyXBQUUAGMDBERPP-UHFFFAOYSA-N
XLogP1.64
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278770) is 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN(CC)CCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O.
What is the InChIKey of 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is XBQUUAGMDBERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O3/c1-5-28(6-2)14-10-13-24-20(30)18-15-19-21(31)27(4)23(3,16-29(19)26-18)22(32)25-17-11-8-7-9-12-17/h15,17H,5-14,16H2,1-4H3,(H,24,30)(H,25,32).
What are the key properties of 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 446.60 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).