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

C20H33N5O3 — CID 46278842

IUPAC5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(C)C2=O
InChIInChI=1S/C20H33N5O3/c1-13(2)7-9-21-17(26)15-11-16-18(27)24(6)20(5,12-25(16)23-15)19(28)22-10-8-14(3)4/h11,13-14H,7-10,12H2,1-6H3,(H,21,26)(H,22,28)
InChIKeyOCXFOEYZDXBOKJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.67
Rot. Bonds8

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

5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278842) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278842
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(C)C2=O
InChIInChI=1S/C20H33N5O3/c1-13(2)7-9-21-17(26)15-11-16-18(27)24(6)20(5,12-25(16)23-15)19(28)22-10-8-14(3)4/h11,13-14H,7-10,12H2,1-6H3,(H,21,26)(H,22,28)
InChIKeyOCXFOEYZDXBOKJ-UHFFFAOYSA-N
XLogP1.67
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278842) is 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(C)CCNC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(C)C2=O.
What is the InChIKey of 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is OCXFOEYZDXBOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-13(2)7-9-21-17(26)15-11-16-18(27)24(6)20(5,12-25(16)23-15)19(28)22-10-8-14(3)4/h11,13-14H,7-10,12H2,1-6H3,(H,21,26)(H,22,28).
What are the key properties of 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 391.52 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-N,6-N-bis(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).