2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C25H31N5O5 — CID 50758976

IUPAC2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H31N5O5/c1-3-4-11-29-23(32)19-13-18(22(31)26-17-9-10-20-21(12-17)35-15-34-20)28-30(19)14-25(29,2)24(33)27-16-7-5-6-8-16/h9-10,12-13,16H,3-8,11,14-15H2,1-2H3,(H,26,31)(H,27,33)
InChIKeyBSFYNZYTRPMITL-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.94
Rot. Bonds7

About 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758976) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758976
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H31N5O5/c1-3-4-11-29-23(32)19-13-18(22(31)26-17-9-10-20-21(12-17)35-15-34-20)28-30(19)14-25(29,2)24(33)27-16-7-5-6-8-16/h9-10,12-13,16H,3-8,11,14-15H2,1-2H3,(H,26,31)(H,27,33)
InChIKeyBSFYNZYTRPMITL-UHFFFAOYSA-N
XLogP2.94
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758976) is 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is BSFYNZYTRPMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-3-4-11-29-23(32)19-13-18(22(31)26-17-9-10-20-21(12-17)35-15-34-20)28-30(19)14-25(29,2)24(33)27-16-7-5-6-8-16/h9-10,12-13,16H,3-8,11,14-15H2,1-2H3,(H,26,31)(H,27,33).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 481.55 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).