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

C18H29N5O4 — CID 46278846

IUPAC2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(C)C2=O
InChIInChI=1S/C18H29N5O4/c1-12(2)6-7-20-17(26)18(3)11-23-14(16(25)22(18)4)10-13(21-23)15(24)19-8-9-27-5/h10,12H,6-9,11H2,1-5H3,(H,19,24)(H,20,26)
InChIKeyWFZBORPVQIJHGB-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.27
Rot. Bonds8

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

2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278846) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278846
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(C)C2=O
InChIInChI=1S/C18H29N5O4/c1-12(2)6-7-20-17(26)18(3)11-23-14(16(25)22(18)4)10-13(21-23)15(24)19-8-9-27-5/h10,12H,6-9,11H2,1-5H3,(H,19,24)(H,20,26)
InChIKeyWFZBORPVQIJHGB-UHFFFAOYSA-N
XLogP0.27
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.27
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 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278846) is 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is COCCNC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(C)C2=O.
What is the InChIKey of 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is WFZBORPVQIJHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-12(2)6-7-20-17(26)18(3)11-23-14(16(25)22(18)4)10-13(21-23)15(24)19-8-9-27-5/h10,12H,6-9,11H2,1-5H3,(H,19,24)(H,20,26).
What are the key properties of 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 379.46 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).