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

C22H36N6O3 — CID 46278742

IUPAC6-N-cyclopentyl-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)NC1CCCC1)N(C)C2=O
InChIInChI=1S/C22H36N6O3/c1-5-27(6-2)13-9-12-23-19(29)17-14-18-20(30)26(4)22(3,15-28(18)25-17)21(31)24-16-10-7-8-11-16/h14,16H,5-13,15H2,1-4H3,(H,23,29)(H,24,31)
InChIKeyCDZOFSXNTZTODI-UHFFFAOYSA-N
MW432.57 g/mol
LogP1.25
Rot. Bonds9

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

6-N-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278742) has the molecular formula C22H36N6O3 and a molecular weight of 432.57 g/mol. Its IUPAC name is 6-N-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278742
Molecular FormulaC22H36N6O3
Molecular Weight432.57 g/mol
Exact Mass432.28
IUPAC Name6-N-cyclopentyl-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)NC1CCCC1)N(C)C2=O
InChIInChI=1S/C22H36N6O3/c1-5-27(6-2)13-9-12-23-19(29)17-14-18-20(30)26(4)22(3,15-28(18)25-17)21(31)24-16-10-7-8-11-16/h14,16H,5-13,15H2,1-4H3,(H,23,29)(H,24,31)
InChIKeyCDZOFSXNTZTODI-UHFFFAOYSA-N
XLogP1.25
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.25
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-cyclopentyl-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-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278742) is 6-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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)NC1CCCC1)N(C)C2=O.
What is the InChIKey of 6-N-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is CDZOFSXNTZTODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O3/c1-5-27(6-2)13-9-12-23-19(29)17-14-18-20(30)26(4)22(3,15-28(18)25-17)21(31)24-16-10-7-8-11-16/h14,16H,5-13,15H2,1-4H3,(H,23,29)(H,24,31).
What are the key properties of 6-N-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 432.57 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-2-N-[3-(diethylamino)propyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).